Geometry & MOs

Info

ID:	256076
PubChem CID:	103136877
Reduced:	F3N3H10C11 (1)
Stoich.:	A3B3C10D11 (1)
Weight, g/mol:	276.162649
ΔH_f, kcal/mol:	-109.39
Dipole, Da:	5.18
IP(EA), eV:	-8.37(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-3-(3-methylphenyl)propan-1-amine

Drug info:

PubChemData

Smile

C1=CC(=C2C=NC=CC2=C1N)NCC(F)(F)F

DOS

IR

Vibrations