Geometry & MOs

Info

ID:	197502
PubChem CID:	78971920
Reduced:	N2O3C11H14 (1)
Stoich.:	A2B3C11D14 (1)
Weight, g/mol:	227.070619
ΔH_f, kcal/mol:	-115.35
Dipole, Da:	4.4
IP(EA), eV:	-9.66(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-N-(4-fluoro-2-nitrophenyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)O)NC(=O)[C@@H](C)N

DOS

IR

Vibrations