Geometry & MOs

Info

ID:	24392
PubChem CID:	609846
Reduced:	NOC14H23 (1)
Stoich.:	ABC14D23 (1)
Weight, g/mol:	221.177964
ΔH_f, kcal/mol:	-24.27
Dipole, Da:	1.97
IP(EA), eV:	-8.72(1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethynyl-1,2,7-trimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol

Drug info:

PubChemData

Smile

CC1CCC2C(C1)N(C(CC2(C#C)O)C)C

DOS

IR

Vibrations