Geometry & MOs

Info

ID:	182723
PubChem CID:	76930732
Reduced:	N3O3C13H19 (1)
Stoich.:	A3B3C13D19 (1)
Weight, g/mol:	258.148061
ΔH_f, kcal/mol:	-69.9
Dipole, Da:	4.42
IP(EA), eV:	-9.28(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1-propan-2-ylpyrrolidin-3-yl)amino]benzimidazol-2-one

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=CC=C(C=C1)C(=NO)N)COC

DOS

IR

Vibrations