Geometry & MOs

Info

ID:	438905
PubChem CID:	135228666
Reduced:	N3O3C29H33 (1)
Stoich.:	A3B3C29D33 (1)
Weight, g/mol:	474.226705
ΔH_f, kcal/mol:	-62.81
Dipole, Da:	11.75
IP(EA), eV:	-8.73(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-10-methoxy-2-oxo-9-(2-pyrrolidin-1-ylpyrimidin-5-yl)-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1C2=C(C=C3C(=C2)CC(N4C3=CC(=O)C(=C4)C(=O)C)C(C)(C)C)OC)N5CCC5

DOS

IR

Vibrations