Geometry & MOs

Info

ID:

441984

PubChem CID:

135247384

Reduced:

N3H43C56 (1)

Stoich.:

A3B43C56 (1)

Weight, g/mol:

753.314398

ΔHf, kcal/mol:

291.48

Dipole, Da:

1.27

IP(EA), eV:

 -8.36(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-(benzenecarboximidoyl)-10-[(9Z)-32-ethyl-6-octacyclo[14.13.2.11,8.02,7.012,31.017,22.023,30.024,29]dotriaconta-2,4,6,8(32),9,12(31),13,15,17,19,21,23(30),24,26,28-pentadecaenyl]phenanthrene-9-carboximidamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C(=C(\C2=CC=CC=C2)/C3=NC(=NC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)/C6=C7C8=C(C=CCCC8)C(C7=CC=C6)(C9=CC=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations