Geometry & MOs

Info

ID:	252899
PubChem CID:	103114842
Reduced:	N2O4C15H24 (1)
Stoich.:	A2B4C15D24 (1)
Weight, g/mol:	295.116821
ΔH_f, kcal/mol:	-105.0
Dipole, Da:	5.5
IP(EA), eV:	-9.67(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-3-[(2-methyl-3-nitrophenyl)methylamino]propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations