Geometry & MOs

Info

ID:	72338
PubChem CID:	48416061
Reduced:	OCl2N4C17H18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	392.164854
ΔH_f, kcal/mol:	8.56
Dipole, Da:	3.06
IP(EA), eV:	-8.99(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-3-(4-fluorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C(=CC(=C1Cl)Cl)C(=O)N(C)CCCC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations