Geometry & MOs

Info

ID:	439081
PubChem CID:	135228844
Reduced:	NC22H35 (1)
Stoich.:	AB22C35 (1)
Weight, g/mol:	434.195405
ΔH_f, kcal/mol:	-8.83
Dipole, Da:	1.1
IP(EA), eV:	-8.67(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC=N/C=C(\C)/C1=CC(CC=C1C(C)CCC2CCCCC2)C

DOS

IR

Vibrations