Geometry & MOs

Info

ID:	312377
PubChem CID:	126604500
Reduced:	O3C12H22 (1)
Stoich.:	A3B12C22 (1)
Weight, g/mol:	195.081477
ΔH_f, kcal/mol:	-158.32
Dipole, Da:	0.7
IP(EA), eV:	-10.17(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-1-methyl-4-methylidene-2,3,4a,5-tetrahydroquinoline

Drug info:

PubChemData

Smile

CC(=C)C(=O)OCOC(C)(C)C(C)(C)C

DOS

IR

Vibrations