Geometry & MOs

Info

ID:	381320
PubChem CID:	134972017
Reduced:	N3O5H11C12 (1)
Stoich.:	A3B5C11D12 (1)
Weight, g/mol:	140.120115
ΔH_f, kcal/mol:	-105.4
Dipole, Da:	3.1
IP(EA), eV:	-9.6(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6R)-3,4,6-trimethylcyclohex-3-en-1-ol

Drug info:

PubChemData

Smile

CC1=NC(=CO1)C2=NC(=CO2)C3=N[C@@H](CO3)C(=O)OC

DOS

IR

Vibrations