Geometry & MOs

Info

ID:	261532
PubChem CID:	103238845
Reduced:	N2O4C13H14 (1)
Stoich.:	A2B4C13D14 (1)
Weight, g/mol:	299.067284
ΔH_f, kcal/mol:	-120.04
Dipole, Da:	5.83
IP(EA), eV:	-9.57(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-[(1-amino-1-oxopropan-2-yl)amino]acetyl]amino]-4-chlorobenzoic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1CNCCC(=O)N)C=C(O2)C(=O)O

DOS

IR

Vibrations