Geometry & MOs

Info

ID:	41371
PubChem CID:	8145741
Reduced:	ClO2N4C17H23 (1)
Stoich.:	AB2C4D17E23 (1)
Weight, g/mol:	272.17763
ΔH_f, kcal/mol:	-73.27
Dipole, Da:	4.37
IP(EA), eV:	-8.48(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,3S,6R)-2-[(4-methoxyphenyl)methylidene]-3-methyl-6-propan-2-ylcyclohexan-1-one

Drug info:

PubChemData

Smile

CCC[C@H]1C(=O)N(C(=O)N1)CN2CCN(CC2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations