Geometry & MOs

Info

ID:	438767
PubChem CID:	135228521
Reduced:	NOC12H15 (2)
Stoich.:	ABC12D15 (2)
Weight, g/mol:	488.242356
ΔH_f, kcal/mol:	-30.72
Dipole, Da:	6.44
IP(EA), eV:	-7.75(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C(=C\N)/C1=C(C=C2C(=C1)CC(N3C2=CC(=C)C(=C3)C(=C)O)C(C)(C)C)OC

DOS

IR

Vibrations