Geometry & MOs

Info

ID:	443335
PubChem CID:	135258625
Reduced:	I2N3C5H5 (1)
Stoich.:	A2B3C5D5 (1)
Weight, g/mol:	652.287849
ΔH_f, kcal/mol:	85.37
Dipole, Da:	4.36
IP(EA), eV:	-8.51(-2.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[10-ethenyl-9-[(Z)-prop-1-enyl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

Drug info:

PubChemData

Smile

CC1=CN(/C(=N\I)/N=C1)I

DOS

IR

Vibrations