Geometry & MOs

Info

ID:	31096
PubChem CID:	854491
Reduced:	ON2C19H22 (1)
Stoich.:	AB2C19D22 (1)
Weight, g/mol:	170.13068
ΔH_f, kcal/mol:	-19.82
Dipole, Da:	3.47
IP(EA), eV:	-8.52(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol

Drug info:

PubChemData

Smile

CC[C@@]12CCCN3[C@H]1C4=C(CC3)C5=CC=CC=C5N4C(=O)C2

DOS

IR

Vibrations