Geometry & MOs

Info

ID:	217180
PubChem CID:	85087384
Reduced:	N2O4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	340.142307
ΔH_f, kcal/mol:	-129.83
Dipole, Da:	5.91
IP(EA), eV:	-9.07(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-acetyl-5-(2,5-dimethoxyphenyl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

COC(=O)N1C2=CC=CC=C2C34C1(C=CC5C3N(CCC5)C(=O)C4)O

DOS

IR

Vibrations