Geometry & MOs

Info

ID:	163272
PubChem CID:	57682722
Reduced:	OF3N5C22H26 (1)
Stoich.:	AB3C5D22E26 (1)
Weight, g/mol:	704.319149
ΔH_f, kcal/mol:	-154.84
Dipole, Da:	5.14
IP(EA), eV:	-8.57(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(N-[4-(15,15-dimethyl-6-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaenyl)phenyl]anilino)phenyl]-N,N-diphenylaniline

Drug info:

PubChemData

Smile

CC1(CNCC2=C1C=CC(=C2)NC(=O)N3CCN(CC3)C4=C(C=CC=N4)C(F)(F)F)C

DOS

IR

Vibrations