Geometry & MOs

Info

ID:	181759
PubChem CID:	76789954
Reduced:	ClNO3C22H22 (1)
Stoich.:	ABC3D22E22 (1)
Weight, g/mol:	374.176106
ΔH_f, kcal/mol:	-28.39
Dipole, Da:	5.63
IP(EA), eV:	-8.98(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-6-[2-(1-methyl-5-oxopyrrolidin-2-yl)-1-(4-propan-2-ylphenyl)ethenyl]piperidin-2-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=CCC2CCCO2)C3=NC(=O)C(=C4CC4)C=C3)Cl

DOS

IR

Vibrations