Geometry & MOs

Info

ID:	183328
PubChem CID:	77008456
Reduced:	O2N3H13C14 (1)
Stoich.:	A2B3C13D14 (1)
Weight, g/mol:	271.095691
ΔH_f, kcal/mol:	21.88
Dipole, Da:	2.72
IP(EA), eV:	-8.73(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C2NC(NO2)C3=CN=CC=C3)C=C1

DOS

IR

Vibrations