Geometry & MOs

Info

ID:	184587
PubChem CID:	77179914
Reduced:	SO3N5C18H31 (1)
Stoich.:	AB3C5D18E31 (1)
Weight, g/mol:	531.295788
ΔH_f, kcal/mol:	-106.08
Dipole, Da:	3.73
IP(EA), eV:	-8.38(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)N1CCC(CC1)C(C)OC2=CN=C(N=C2)N3CCC(C3)N

DOS

IR

Vibrations