Geometry & MOs

Info

ID:	23219
PubChem CID:	602872
Reduced:	NOC15H29 (1)
Stoich.:	ABC15D29 (1)
Weight, g/mol:	239.224915
ΔH_f, kcal/mol:	-98.26
Dipole, Da:	1.09
IP(EA), eV:	-8.48(2.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol

Drug info:

PubChemData

Smile

CCCCC1(CC(N(C2C1CCCC2)C)C)O

DOS

IR

Vibrations