Geometry & MOs

Info

ID:	439139
PubChem CID:	135228904
Reduced:	NC24H35 (1)
Stoich.:	AB24C35 (1)
Weight, g/mol:	419.184506
ΔH_f, kcal/mol:	6.87
Dipole, Da:	1.18
IP(EA), eV:	-8.88(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)C(C)CC(=C)C2CCCCC2)/C(=C/N=CC)/C

DOS

IR

Vibrations