Geometry & MOs

Info

ID:	256232
PubChem CID:	103137879
Reduced:	FN2H15C17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	266.121927
ΔH_f, kcal/mol:	19.12
Dipole, Da:	4.34
IP(EA), eV:	-9.2(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-fluoro-3-methylphenyl)-isoquinolin-8-ylmethanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=CC3=C2C=NC=C3)N)F

DOS

IR

Vibrations