Geometry & MOs

Info

ID:	339522
PubChem CID:	127261512
Reduced:	N2O3C13H18 (1)
Stoich.:	A2B3C13D18 (1)
Weight, g/mol:	193.073893
ΔH_f, kcal/mol:	-101.42
Dipole, Da:	1.54
IP(EA), eV:	-8.97(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(Z)-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC(C)(CC(=O)C1=CC=CC=C1)OC(=O)CNN

DOS

IR

Vibrations