Geometry & MOs

Info

ID:	256510
PubChem CID:	103139665
Reduced:	ON3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	267.137162
ΔH_f, kcal/mol:	-13.32
Dipole, Da:	3.1
IP(EA), eV:	-8.59(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanol

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C=C(C3=C2N=CC=C3)CCN

DOS

IR

Vibrations