Geometry & MOs

Info

ID:	252126
PubChem CID:	103109305
Reduced:	SO3N4C13H14 (1)
Stoich.:	AB3C4D13E14 (1)
Weight, g/mol:	263.126991
ΔH_f, kcal/mol:	4.04
Dipole, Da:	6.69
IP(EA), eV:	-9.59(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC(=O)C2=CSC(=N2)CN

DOS

IR

Vibrations