Geometry & MOs

Info

ID:	50423
PubChem CID:	12012956
Reduced:	PN3O4C15H22 (1)
Stoich.:	AB3C4D15E22 (1)
Weight, g/mol:	353.150443
ΔH_f, kcal/mol:	-203.14
Dipole, Da:	7.25
IP(EA), eV:	-9.25(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(diethoxyphosphorylmethyl)-N-propylbenzimidazole-1-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)N1C2=CC=CC=C2N=C1CP(=O)(OCC)OCC

DOS

IR

Vibrations