Geometry & MOs

Info

ID:	255704
PubChem CID:	103134133
Reduced:	OSN2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	237.090212
ΔH_f, kcal/mol:	-29.9
Dipole, Da:	4.34
IP(EA), eV:	-7.83(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-8-yl-(1-methylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CCSC1=CC(=CC2=C1C=CN2CC3CCC(O3)C)N

DOS

IR

Vibrations