Geometry & MOs

Info

ID:	256230
PubChem CID:	103137873
Reduced:	FN3H14C16 (1)
Stoich.:	AB3C14D16 (1)
Weight, g/mol:	284.112505
ΔH_f, kcal/mol:	22.87
Dipole, Da:	2.7
IP(EA), eV:	-8.16(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-difluorophenyl)-1-isoquinolin-8-ylethanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1F)NC2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations