Geometry & MOs

Info

ID:	438782
PubChem CID:	135228539
Reduced:	NO2C21H33 (1)
Stoich.:	AB2C21D33 (1)
Weight, g/mol:	486.288243
ΔH_f, kcal/mol:	-125.49
Dipole, Da:	5.32
IP(EA), eV:	-9.29(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-tert-butyl-10-ethyl-9-(6-methylidene-1-propan-2-ylpyridin-3-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1CCC(CC1C(=O)NCC(CO)C2=CC=CC=C2)(C)C

DOS

IR

Vibrations