Geometry & MOs

Info

ID:	403231
PubChem CID:	135059297
Reduced:	NO2C11H21 (1)
Stoich.:	AB2C11D21 (1)
Weight, g/mol:	166.135765
ΔH_f, kcal/mol:	-126.96
Dipole, Da:	3.15
IP(EA), eV:	-9.3(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(Z)-pent-2-enyl]cyclohexan-1-one

Drug info:

PubChemData

Smile

CC1(CCC(C[C@H]1CC(=O)OC)N)C

DOS

IR

Vibrations