Geometry & MOs

Info

ID:	48464
PubChem CID:	10585673
Reduced:	O2C15H20 (1)
Stoich.:	A2B15C20 (1)
Weight, g/mol:	232.14633
ΔH_f, kcal/mol:	-77.74
Dipole, Da:	6.26
IP(EA), eV:	-9.62(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S)-2,4-dimethyl-3-phenylmethoxycyclohexan-1-one

Drug info:

PubChemData

Smile

C[C@H]1[C@H]2[C@H](C=C3CCCC[C@@H]3[C@H]2C=C)C(=O)O1

DOS

IR

Vibrations