Geometry & MOs

Info

ID:	181760
PubChem CID:	76790015
Reduced:	ClN2O2C21H27 (1)
Stoich.:	AB2C2D21E27 (1)
Weight, g/mol:	337.150036
ΔH_f, kcal/mol:	-93.02
Dipole, Da:	6.81
IP(EA), eV:	-9.44(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-cyclopentyl-1-(4-methylsulfanylphenyl)cyclopropyl]-3-methylidenepyridin-2-one

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(=CC2CCC(=O)N2C)C3CCC(C(=O)N3)Cl

DOS

IR

Vibrations