Geometry & MOs

Info

ID:	142858
PubChem CID:	53104206
Reduced:	FO2N5C21H24 (1)
Stoich.:	AB2C5D21E24 (1)
Weight, g/mol:	413.161853
ΔH_f, kcal/mol:	-65.69
Dipole, Da:	4.43
IP(EA), eV:	-8.86(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3-chloro-4-methylphenyl)carbamoyl-methylamino]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)C(=O)N(C)C)N=C1CN(C)C(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations