Geometry & MOs

Info

ID:	256436
PubChem CID:	103139221
Reduced:	NOC14H15 (1)
Stoich.:	ABC14D15 (1)
Weight, g/mol:	215.131014
ΔH_f, kcal/mol:	10.26
Dipole, Da:	3.87
IP(EA), eV:	-9.29(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-2,2-dimethylpropan-1-ol

Drug info:

PubChemData

Smile

CC1CC1C(C2=CC=CC3=C2C=NC=C3)O

DOS

IR

Vibrations