Geometry & MOs

Info

ID:	232982
PubChem CID:	87577871
Reduced:	ClNOC9H16 (1)
Stoich.:	ABCD9E16 (1)
Weight, g/mol:	221.068808
ΔH_f, kcal/mol:	3.83
Dipole, Da:	1.19
IP(EA), eV:	-9.06(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1Z)-1-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)prop-2-enyl]amino]acetic acid

Drug info:

PubChemData

Smile

C=CCNCC=C.C1C(O1)CCl

DOS

IR

Vibrations