Geometry & MOs

Info

ID:	256492
PubChem CID:	103139585
Reduced:	NOH6C7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	271.08087
ΔH_f, kcal/mol:	7.24
Dipole, Da:	3.32
IP(EA), eV:	-8.2(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-difluorophenyl)-isoquinolin-8-ylmethanol

Drug info:

PubChemData

Smile

C1=COC(=C1)COC2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations