Geometry & MOs

Info

ID:	292961
PubChem CID:	117367108
Reduced:	NOCl2C11H13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	246.027671
ΔH_f, kcal/mol:	-22.18
Dipole, Da:	2.77
IP(EA), eV:	-9.12(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-(5-cyano-2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-1,2-oxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1Cl)Cl)CC2(CC2)N

DOS

IR

Vibrations