Geometry & MOs

Info

ID:	438969
PubChem CID:	135228730
Reduced:	N2O3C22H26 (1)
Stoich.:	A2B3C22D26 (1)
Weight, g/mol:	490.22162
ΔH_f, kcal/mol:	-77.67
Dipole, Da:	8.32
IP(EA), eV:	-8.28(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations