Geometry & MOs

Info

ID:	343778
PubChem CID:	127266954
Reduced:	NOC6H7 (3)
Stoich.:	ABC6D7 (3)
Weight, g/mol:	343.169605
ΔH_f, kcal/mol:	-80.95
Dipole, Da:	5.84
IP(EA), eV:	-9.12(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[(4-fluoro-3-methylphenyl)methylamino]-2-methylbenzimidazol-1-yl]propane-1,3-diol

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)OC2=CC=CC=C2)CC3=CC(=O)NC=C3

DOS

IR

Vibrations