Geometry & MOs

Info

ID:	399470
PubChem CID:	135040474
Reduced:	NO4C9H15 (1)
Stoich.:	AB4C9D15 (1)
Weight, g/mol:	210.16198
ΔH_f, kcal/mol:	-124.39
Dipole, Da:	5.29
IP(EA), eV:	-11.08(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-hydroxybutan-2-yl)-4-methylcyclohex-3-en-1-yl]ethanone

Drug info:

PubChemData

Smile

CCOC(=O)C[C@@H]1CCC[C@@H]1[N+](=O)[O-]

DOS

IR

Vibrations