Geometry & MOs

Info

ID:	24259
PubChem CID:	608837
Reduced:	NOC16H23 (1)
Stoich.:	ABC16D23 (1)
Weight, g/mol:	245.177964
ΔH_f, kcal/mol:	-42.13
Dipole, Da:	2.13
IP(EA), eV:	-8.77(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol

Drug info:

PubChemData

Smile

CN1CCC(C2C1CCCC2)(C3=CC=CC=C3)O

DOS

IR

Vibrations