Geometry & MOs

Info

ID:	221573
PubChem CID:	85280011
Reduced:	O2C13H16 (1)
Stoich.:	A2B13C16 (1)
Weight, g/mol:	205.18305
ΔH_f, kcal/mol:	-26.22
Dipole, Da:	4.55
IP(EA), eV:	-9.98(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4a-dimethyl-8-prop-1-en-2-yl-4,5,6,7,8,8a-hexahydro-3H-quinoline

Drug info:

PubChemData

Smile

CC#CC(=O)CCC=CC(=O)CCC=C

DOS

IR

Vibrations