Geometry & MOs

Info

ID:	439015
PubChem CID:	135228777
Reduced:	BrNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	341.199094
ΔH_f, kcal/mol:	-75.26
Dipole, Da:	2.52
IP(EA), eV:	-8.82(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 9,10-dimethyl-2-oxo-6-propan-2-yl-1,6,7,11b-tetrahydrobenzo[a]quinolizine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)C(CC1=CC(=C(C=C1)OC)Br)NC=O

DOS

IR

Vibrations