Geometry & MOs

Info

ID:	2904
PubChem CID:	8804
Reduced:	N3O5C10H11 (1)
Stoich.:	A3B5C10D11 (1)
Weight, g/mol:	253.06987
ΔH_f, kcal/mol:	-119.59
Dipole, Da:	9.45
IP(EA), eV:	-10.07(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-nitrophenyl)carbamoylamino]propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)NCCC(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations