Geometry & MOs

Info

ID:	23980
PubChem CID:	607304
Reduced:	NOC14H27 (1)
Stoich.:	ABC14D27 (1)
Weight, g/mol:	225.209264
ΔH_f, kcal/mol:	-90.62
Dipole, Da:	2.07
IP(EA), eV:	-8.66(2.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-1-propyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol

Drug info:

PubChemData

Smile

CCCN1CCC(C2C1CCCC2)(CC)O

DOS

IR

Vibrations