Geometry & MOs

Info

ID:	439031
PubChem CID:	135228794
Reduced:	ON4C24H32 (1)
Stoich.:	AB4C24D32 (1)
Weight, g/mol:	506.278072
ΔH_f, kcal/mol:	-16.9
Dipole, Da:	5.14
IP(EA), eV:	-8.9(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-tert-butyl-9-(1-tert-butyl-2-hydroxy-2H-pyridin-5-yl)-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)N2CCC(CC2)CC[C@H]3C4=CC=CC=C4C5=CN=CN35

DOS

IR

Vibrations