Geometry & MOs

Info

ID:	162351
PubChem CID:	57394400
Reduced:	O5N9C30H43 (1)
Stoich.:	A5B9C30D43 (1)
Weight, g/mol:	458.106502
ΔH_f, kcal/mol:	-157.39
Dipole, Da:	9.49
IP(EA), eV:	-9.25(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5,6-dichloro-1H-benzimidazol-2-yl)-N-[2-(4-phenylphenyl)ethyl]pyridin-2-amine

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)/C=N/NC(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations