Geometry & MOs

Info

ID:	257028
PubChem CID:	103143137
Reduced:	ClNSO3C12H16 (1)
Stoich.:	ABCD3E12F16 (1)
Weight, g/mol:	267.137162
ΔH_f, kcal/mol:	-129.45
Dipole, Da:	6.87
IP(EA), eV:	-9.39(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-8-yl-(2-propylpyrazol-3-yl)methanol

Drug info:

PubChemData

Smile

CC1CCC(O1)CS(=O)(=O)C2=C(C=C(C=C2)N)Cl

DOS

IR

Vibrations