Geometry & MOs

Info

ID:	183327
PubChem CID:	77008132
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	255.100777
ΔH_f, kcal/mol:	-30.5
Dipole, Da:	3.97
IP(EA), eV:	-8.38(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-6-(3-pyridin-3-yl-1,2,4-oxadiazolidin-5-ylidene)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1=CC=CC(=C2NC(NO2)C3CCCC3)C1=O

DOS

IR

Vibrations