Geometry & MOs

Info

ID:	1512
PubChem CID:	4622
Reduced:	NOC4H5 (3)
Stoich.:	ABC4D5 (3)
Weight, g/mol:	249.111341
ΔH_f, kcal/mol:	-87.93
Dipole, Da:	0.93
IP(EA), eV:	-8.37(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-(6-propoxy-1H-benzimidazol-2-yl)carbamate

Drug info:

PubChemData

Smile

CCCOC1=CC2=C(C=C1)N=C(N2)NC(=O)OC

DOS

IR

Vibrations