Geometry & MOs

Info

ID:	256984
PubChem CID:	103142895
Reduced:	NOC17H21 (1)
Stoich.:	ABC17D21 (1)
Weight, g/mol:	277.146664
ΔH_f, kcal/mol:	-25.09
Dipole, Da:	4.49
IP(EA), eV:	-9.03(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-isoquinolin-8-yl-1-phenylbutan-2-ol

Drug info:

PubChemData

Smile

CC1CCCC(CC1)(C2=CC=CC3=C2C=NC=C3)O

DOS

IR

Vibrations