Geometry & MOs

Info

ID:	337112
PubChem CID:	127256677
Reduced:	SO5C7H10 (1)
Stoich.:	AB5C7D10 (1)
Weight, g/mol:	282.184447
ΔH_f, kcal/mol:	-193.51
Dipole, Da:	3.37
IP(EA), eV:	-9.34(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(5-methylhexan-2-yl)-3H-pyrazolo[3,4-c]quinolin-4-amine

Drug info:

PubChemData

Smile

CCS(=O)(=O)OC1C=C(C=CO1)O

DOS

IR

Vibrations