Geometry & MOs

Info

ID:	45366
PubChem CID:	10512073
Reduced:	O2C5H6 (2)
Stoich.:	A2B5C6 (2)
Weight, g/mol:	197.177964
ΔH_f, kcal/mol:	-156.15
Dipole, Da:	1.46
IP(EA), eV:	-8.89(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aR,5R,7R,8aR)-1,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-yl]methanol

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CC(=O)OC)O

DOS

IR

Vibrations