Geometry & MOs

Info

ID:	438792
PubChem CID:	135228549
Reduced:	O6C21H26 (1)
Stoich.:	A6B21C26 (1)
Weight, g/mol:	447.215806
ΔH_f, kcal/mol:	-210.24
Dipole, Da:	3.4
IP(EA), eV:	-8.43(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(CC=CC(=C1)CCC(CC2=CC(=C(C=C2)O)OC)C(=O)OC)O

DOS

IR

Vibrations