Geometry & MOs

Info

ID:	136087
PubChem CID:	51976175
Reduced:	NC9H10 (2)
Stoich.:	AB9C10 (2)
Weight, g/mol:	360.12407
ΔH_f, kcal/mol:	45.22
Dipole, Da:	4.96
IP(EA), eV:	-8.73(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[5-chloro-2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC[C@@H](C)N1C2=CC=CC=C2N=C1C3=CC=CC(=C3)C

DOS

IR

Vibrations