Geometry & MOs

Info

ID:	438910
PubChem CID:	135228671
Reduced:	ON2C27H34 (1)
Stoich.:	AB2C27D34 (1)
Weight, g/mol:	492.262422
ΔH_f, kcal/mol:	27.11
Dipole, Da:	3.2
IP(EA), eV:	-7.53(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-tert-butyl-9-(1-ethyl-6-hydroxy-6-methylpyridin-3-yl)-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate

Drug info:

PubChemData

Smile

CCCC(=C)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=C)OC)/C(=C/C)/C=N)C(C)C

DOS

IR

Vibrations