Geometry & MOs

Info

ID:	73612
PubChem CID:	48419507
Reduced:	FN2O2H17C18 (1)
Stoich.:	AB2C2D17E18 (1)
Weight, g/mol:	326.106671
ΔH_f, kcal/mol:	-70.97
Dipole, Da:	7.83
IP(EA), eV:	-8.46(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluoro-2-methoxyphenyl)-1-methoxyisoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CC(=O)NC3=C(C=C(C=C3)F)OC

DOS

IR

Vibrations