Geometry & MOs

Info

ID:	252134
PubChem CID:	103109379
Reduced:	N3O3C13H19 (1)
Stoich.:	A3B3C13D19 (1)
Weight, g/mol:	263.126991
ΔH_f, kcal/mol:	-55.17
Dipole, Da:	3.47
IP(EA), eV:	-9.55(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(2-methyl-3-nitrophenyl)methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC(=O)NCC1=C(C(=CC=C1)[N+](=O)[O-])C)N

DOS

IR

Vibrations