Geometry & MOs

Info

ID:	84300
PubChem CID:	49865622
Reduced:	IN2O3C24H31 (1)
Stoich.:	AB2C3D24E31 (1)
Weight, g/mol:	416.158351
ΔH_f, kcal/mol:	-57.14
Dipole, Da:	4.15
IP(EA), eV:	-8.39(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[1-(2-hydroxyacetyl)-5-(3,4,5-trimethoxyphenyl)pyrazolidin-3-ylidene]-2-methoxycyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC(C)C(CCCNCCC1=CC(=C(C=C1)O)I)(C#N)C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations