Geometry & MOs

Info

ID:	256403
PubChem CID:	103139025
Reduced:	SN4C16H18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	243.125929
ΔH_f, kcal/mol:	67.38
Dipole, Da:	4.06
IP(EA), eV:	-7.88(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-8-yl-(5-methyloxolan-3-yl)methanol

Drug info:

PubChemData

Smile

CCC1=CN=C(S1)C(C)NC2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations