Geometry & MOs

Info

ID:	389306
PubChem CID:	134992125
Reduced:	MnN2O2C7H10 (1)
Stoich.:	AB2C2D7E10 (1)
Weight, g/mol:	244.14633
ΔH_f, kcal/mol:	7.22
Dipole, Da:	1.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.683008
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(1S)-3,4-dimethylcyclohex-3-en-1-yl]-2-hydroxy-2-phenylethanone

Drug info:

PubChemData

Smile

C1=C/C(=C/NN)/C(=O)C=C1.O.[Mn]

DOS

IR

Vibrations