Geometry & MOs

Info

ID:	247451
PubChem CID:	103071428
Reduced:	ON2C11H22 (1)
Stoich.:	AB2C11D22 (1)
Weight, g/mol:	250.240899
ΔH_f, kcal/mol:	-48.86
Dipole, Da:	2.61
IP(EA), eV:	-8.83(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-N-propylprop-2-en-1-amine

Drug info:

PubChemData

Smile

CN(CC(=C)CN)C1CCCCC1O

DOS

IR

Vibrations