Geometry & MOs

Info

ID:	271623
PubChem CID:	103686003
Reduced:	N3O5C12H17 (1)
Stoich.:	A3B5C12D17 (1)
Weight, g/mol:	234.136828
ΔH_f, kcal/mol:	-119.85
Dipole, Da:	9.56
IP(EA), eV:	-9.5(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-3-(hydroxymethyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)NC1=CC(=CC=C1)[N+](=O)[O-]

DOS

IR

Vibrations