Geometry & MOs

Info

ID:	37329
PubChem CID:	8019825
Reduced:	ClN3O4C17H19 (1)
Stoich.:	AB3C4D17E19 (1)
Weight, g/mol:	363.098584
ΔH_f, kcal/mol:	-35.77
Dipole, Da:	8.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.796213
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(3-chlorophenyl)methylamino]-N-(2-methoxy-5-nitrophenyl)propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)[NH2+]CC2=CC(=CC=C2)Cl

DOS

IR

Vibrations