Geometry & MOs

Info

ID:	71903
PubChem CID:	48415600
Reduced:	N4O5C21H24 (1)
Stoich.:	A4B5C21D24 (1)
Weight, g/mol:	410.174276
ΔH_f, kcal/mol:	-64.91
Dipole, Da:	7.79
IP(EA), eV:	-8.77(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-phenyl-2,1-benzoxazole-5-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1)C(=O)N(C)CCCC2=NC3=CC=CC=C3N2)[N+](=O)[O-])OC

DOS

IR

Vibrations