Geometry & MOs

Info

ID:

441793

PubChem CID:

135244778

Reduced:

N2C61H64 (1)

Stoich.:

A2B61C64 (1)

Weight, g/mol:

620.319149

ΔHf, kcal/mol:

182.0

Dipole, Da:

1.78

IP(EA), eV:

 -7.61(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-but-3-ynyl-7-N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-10-methyl-2-N,2-N,7-N-triphenylphenanthrene-2,7-diamine

Drug info:

PubChemData

Smile

CC1(C=CC=C(C=C1)N(C2=CC=C(C=C2)CCC=C)C3=CC4=C(C=C3)C5=C(C4(C)C6=CC=CC=C6)C=C(C=C5)N(C7=CC=C(C=C7)CCC=C)C8=CC=CC(C=C8)(C)C(C)(C)C)C

DOS

IR

Vibrations