Geometry & MOs

Info

ID:	219251
PubChem CID:	85096711
Reduced:	O7H26C28 (1)
Stoich.:	A7B26C28 (1)
Weight, g/mol:	474.274324
ΔH_f, kcal/mol:	-191.3
Dipole, Da:	5.62
IP(EA), eV:	-8.5(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetyl]piperazin-1-yl]-2H-benzo[c][1,5]naphthyridin-6-one

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C3C4C(CC5=CC6=C(C=C35)OCO6)COC4=O

DOS

IR

Vibrations