Geometry & MOs

Info

ID:	339524
PubChem CID:	127261514
Reduced:	NO3H13C15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	213.019271
ΔH_f, kcal/mol:	-50.16
Dipole, Da:	5.07
IP(EA), eV:	-8.86(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=C\2/C=CC=CC2=O)/NCC(=O)O

DOS

IR

Vibrations