Geometry & MOs

Info

ID:	142857
PubChem CID:	53104187
Reduced:	ClO3N5C22H26 (1)
Stoich.:	AB3C5D22E26 (1)
Weight, g/mol:	397.191403
ΔH_f, kcal/mol:	-68.88
Dipole, Da:	4.03
IP(EA), eV:	-8.76(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-[[(4-fluorophenyl)carbamoyl-methylamino]methyl]-N,N-dimethylbenzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations