Geometry & MOs

Info

ID:	256737
PubChem CID:	103141004
Reduced:	FO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	270.093918
ΔH_f, kcal/mol:	-118.42
Dipole, Da:	2.14
IP(EA), eV:	-8.97(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2,5-dimethylpyrazol-3-yl)sulfanylisoquinolin-5-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=CC=CC=C2F

DOS

IR

Vibrations