Geometry & MOs

Info

ID:	256381
PubChem CID:	103138901
Reduced:	N3C17H21 (1)
Stoich.:	A3B17C21 (1)
Weight, g/mol:	267.105942
ΔH_f, kcal/mol:	35.47
Dipole, Da:	3.55
IP(EA), eV:	-7.99(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluoro-3-methylphenyl)-isoquinolin-8-ylmethanol

Drug info:

PubChemData

Smile

C1CCC2C(C1)CCN2C3=C4C=NC=CC4=C(C=C3)N

DOS

IR

Vibrations