Geometry & MOs

Info

ID:	332206
PubChem CID:	127250492
Reduced:	FON4C21H21 (1)
Stoich.:	ABC4D21E21 (1)
Weight, g/mol:	413.153955
ΔH_f, kcal/mol:	-8.13
Dipole, Da:	4.24
IP(EA), eV:	-8.84(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-(3-fluorophenyl)pyridin-2-yl]morpholin-4-yl]-isoquinolin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C)N2CCOC(C2)C3=CC=CC(=N3)C4=CC(=CC=C4)F

DOS

IR

Vibrations