Geometry & MOs

Info

ID:	72222
PubChem CID:	48415941
Reduced:	O3N4C18H18 (1)
Stoich.:	A3B4C18D18 (1)
Weight, g/mol:	312.158626
ΔH_f, kcal/mol:	17.44
Dipole, Da:	4.93
IP(EA), eV:	-8.9(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations