Geometry & MOs

Info

ID:	439136
PubChem CID:	135228901
Reduced:	PC19H37 (1)
Stoich.:	AB19C37 (1)
Weight, g/mol:	478.185235
ΔH_f, kcal/mol:	-76.08
Dipole, Da:	1.15
IP(EA), eV:	-8.62(1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC1(CCC(CC1)C(=C)CP(C)CC)CCC

DOS

IR

Vibrations