Geometry & MOs

Info

ID:

441192

PubChem CID:

135233519

Reduced:

ON7H15C17 (1)

Stoich.:

AB7C15D17 (1)

Weight, g/mol:

713.283098

ΔHf, kcal/mol:

156.15

Dipole, Da:

0.93

IP(EA), eV:

 -9.06(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16-phenyl-12-[4-(3-phenyl-1,2-dihydroquinolin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2=C(N(C=N2)C)C3=NN4C(=NC=C4CN=O)C=C3

DOS

IR

Vibrations