Geometry & MOs

Info

ID:	304429
PubChem CID:	124593932
Reduced:	N2O4C11H16 (1)
Stoich.:	A2B4C11D16 (1)
Weight, g/mol:	302.174276
ΔH_f, kcal/mol:	-151.88
Dipole, Da:	1.96
IP(EA), eV:	-9.42(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[(3S)-3-aminopiperidin-1-yl]-4-oxobutyl]-1,3-dihydrobenzimidazol-2-one

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]([C@H](C1=CN=C(C=C1)OC)O)N

DOS

IR

Vibrations