Geometry & MOs

Info

ID:	257368
PubChem CID:	103145570
Reduced:	NO2C4H5 (3)
Stoich.:	AB2C4D5 (3)
Weight, g/mol:	295.116821
ΔH_f, kcal/mol:	-177.3
Dipole, Da:	5.57
IP(EA), eV:	-9.77(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,5-dimethyl-4-nitrophenyl)carbamoylamino]butanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations