Geometry & MOs

Info

ID:	441197
PubChem CID:	135233533
Reduced:	O2N4C29H44 (1)
Stoich.:	A2B4C29D44 (1)
Weight, g/mol:	653.257946
ΔH_f, kcal/mol:	-83.53
Dipole, Da:	5.07
IP(EA), eV:	-7.93(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-2-[4-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzimidazole

Drug info:

PubChemData

Smile

CC1(CCC(CC1NC(=O)CCC2=CC=C(C=C2)OC)C3=NC(=C(C=C3)NCC(C)(C)C)NC)C

DOS

IR

Vibrations