Geometry & MOs

Info

ID:	256454
PubChem CID:	103139323
Reduced:	ON3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	289.071448
ΔH_f, kcal/mol:	-6.67
Dipole, Da:	2.28
IP(EA), eV:	-8.4(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-8-yl-(3,4,5-trifluorophenyl)methanol

Drug info:

PubChemData

Smile

C1CCC(N(CC1)C2=C3C=NC=CC3=C(C=C2)N)CO

DOS

IR

Vibrations