Geometry & MOs

Info

ID:	163663
PubChem CID:	58106605
Reduced:	IrNPH13C16 (1)
Stoich.:	ABCD13E16 (1)
Weight, g/mol:	361.145362
ΔH_f, kcal/mol:	189.65
Dipole, Da:	0.88
IP(EA), eV:	-8.63(-4.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-1-[2-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-yl]isoquinoline

Drug info:

PubChemData

Smile

C1=CC=C([C-]=C1)CC2=NC(=CC3=CC=CC=C32)P.[Ir]

DOS

IR

Vibrations