Geometry & MOs

Info

ID:	290738
PubChem CID:	109890973
Reduced:	ClFION3C16H18 (1)
Stoich.:	ABCDE3F16G18 (1)
Weight, g/mol:	291.158292
ΔH_f, kcal/mol:	-45.78
Dipole, Da:	5.97
IP(EA), eV:	-8.85(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxypropyl)-1-methyl-2-oxo-N-propan-2-yl-3H-benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=NCC(C2=CC(=C(C=C2)Cl)F)O)N.I

DOS

IR

Vibrations