Geometry & MOs

Info

ID:	18093
PubChem CID:	537936
Reduced:	N2O5C11H12 (1)
Stoich.:	A2B5C11D12 (1)
Weight, g/mol:	252.074621
ΔH_f, kcal/mol:	-124.6
Dipole, Da:	7.58
IP(EA), eV:	-10.46(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-3-(3-nitrophenyl)propanoic acid

Drug info:

PubChemData

Smile

CC(=O)NC(CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations