Geometry & MOs

Info

ID:	332207
PubChem CID:	127250493
Reduced:	FO2N3H20C25 (1)
Stoich.:	AB2C3D20E25 (1)
Weight, g/mol:	431.144533
ΔH_f, kcal/mol:	-15.8
Dipole, Da:	2.36
IP(EA), eV:	-9.3(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-(2,6-difluorophenyl)pyridin-2-yl]morpholin-4-yl]-isoquinolin-1-ylmethanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2=NC=CC3=CC=CC=C32)C4=CC=CC(=N4)C5=CC(=CC=C5)F

DOS

IR

Vibrations