Geometry & MOs

Info

ID:	408536
PubChem CID:	135081302
Reduced:	NH13C16 (1)
Stoich.:	AB13C16 (1)
Weight, g/mol:	168.11503
ΔH_f, kcal/mol:	93.2
Dipole, Da:	2.3
IP(EA), eV:	-8.98(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-cyclohex-3-en-1-yl]-2-hydroxy-2-methylpropan-1-one

Drug info:

PubChemData

Smile

C1=CC=C2C3[C@@H]4[C@@H](N4)C(C2=C1)C5=CC=CC=C35

DOS

IR

Vibrations