Geometry & MOs

Info

ID:	186073
PubChem CID:	77386368
Reduced:	O7C12H22 (1)
Stoich.:	A7B12C22 (1)
Weight, g/mol:	533.291452
ΔH_f, kcal/mol:	-300.71
Dipole, Da:	3.23
IP(EA), eV:	-9.68(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[4-(3-fluoro-2-methyl-2,3-dihydropyridin-6-yl)-3-methylpiperazine-1-carbonyl]-7-methyl-1-(1-methylpiperidin-4-yl)-3aH-pyrazolo[4,3-c]quinolin-4-one

Drug info:

PubChemData

Smile

CC(=O)OCC(C1C(C(C(O1)OC)OC)OC)OC

DOS

IR

Vibrations