Geometry & MOs

Info

ID:	179333
PubChem CID:	76467600
Reduced:	O6C63H106 (1)
Stoich.:	A6B63C106 (1)
Weight, g/mol:	452.242356
ΔH_f, kcal/mol:	-363.95
Dipole, Da:	3.44
IP(EA), eV:	-9.43(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[4-(ethoxymethyl)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,3-c]quinolin-4-one

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCCCC(=O)OC(COC(=O)CCCCCC=CCC=CCC=CCC=CCCCCC)COC(=O)CCCCC=CCC=CCC=CCCCCC

DOS

IR

Vibrations