Geometry & MOs

Info

ID:	222294
PubChem CID:	85296351
Reduced:	BrO4C14H15 (1)
Stoich.:	AB4C14D15 (1)
Weight, g/mol:	327.219829
ΔH_f, kcal/mol:	-143.53
Dipole, Da:	2.93
IP(EA), eV:	-10.06(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 5-methyl-2-prop-2-enyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxylate

Drug info:

PubChemData

Smile

CC(CC=CC(=O)OC)OC(=O)C1=CC=C(C=C1)Br

DOS

IR

Vibrations