Geometry & MOs

Info

ID:	438862
PubChem CID:	135228620
Reduced:	O2N3C26H35 (1)
Stoich.:	A2B3C26D35 (1)
Weight, g/mol:	450.195486
ΔH_f, kcal/mol:	-44.11
Dipole, Da:	5.5
IP(EA), eV:	-8.68(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C=C(/C(=O)C)\C(=O)/C=C\1/C2=C(CC(N1)C(C)(C)C)C=C(C(=C2)C)/C(=C/C=N)/N(C)C

DOS

IR

Vibrations