Geometry & MOs

Info

ID:	439055
PubChem CID:	135228818
Reduced:	N2O2C21H24 (1)
Stoich.:	A2B2C21D24 (1)
Weight, g/mol:	504.23727
ΔH_f, kcal/mol:	-38.58
Dipole, Da:	9.32
IP(EA), eV:	-8.24(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-tert-butyl-10-methoxy-9-(2-morpholin-4-ylpyrimidin-5-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate

Drug info:

PubChemData

Smile

CC(=N)C1=CC2=C(C=C1)C3=CC(=C)C(=CN3C(C2)C(C)(C)C)C(=O)O

DOS

IR

Vibrations