Geometry & MOs

Info

ID:	403497
PubChem CID:	135060604
Reduced:	OC6H9 (2)
Stoich.:	AB6C9 (2)
Weight, g/mol:	194.167065
ΔH_f, kcal/mol:	-64.72
Dipole, Da:	2.05
IP(EA), eV:	-10.11(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-butyl-3-[(E)-prop-1-enyl]cyclohexan-1-one

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/[C@@]1(C[C@@H]1CC=C)C

DOS

IR

Vibrations