Geometry & MOs

Info

ID:	199628
PubChem CID:	79272852
Reduced:	N2O3C10H16 (1)
Stoich.:	A2B3C10D16 (1)
Weight, g/mol:	248.079707
ΔH_f, kcal/mol:	-107.5
Dipole, Da:	8.08
IP(EA), eV:	-9.93(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-nitrophenyl)methyl-prop-2-ynylamino]acetic acid

Drug info:

PubChemData

Smile

CCC(C)NC(=O)N(CC#C)CC(=O)O

DOS

IR

Vibrations