Geometry & MOs

Info

ID:	257029
PubChem CID:	103143138
Reduced:	ON3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	255.162314
ΔH_f, kcal/mol:	34.69
Dipole, Da:	2.55
IP(EA), eV:	-9.31(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-1-isoquinolin-8-ylethanol

Drug info:

PubChemData

Smile

CCCN1C(=CC=N1)C(C2=CC=CC3=C2C=NC=C3)O

DOS

IR

Vibrations