Geometry & MOs

Info

ID:	220287
PubChem CID:	85177256
Reduced:	N3O5C9H15 (1)
Stoich.:	A3B5C9D15 (1)
Weight, g/mol:	243.089543
ΔH_f, kcal/mol:	-202.07
Dipole, Da:	3.43
IP(EA), eV:	-9.9(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-oxo-4-(pyridin-4-ylmethylidene)cyclohexene-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(C(=O)NC1=O)C2CC(C(C2O)O)NO

DOS

IR

Vibrations