Geometry & MOs

Info

ID:	332715
PubChem CID:	127251001
Reduced:	O3N4H24C25 (1)
Stoich.:	A3B4C24D25 (1)
Weight, g/mol:	400.169939
ΔH_f, kcal/mol:	-14.55
Dipole, Da:	6.37
IP(EA), eV:	-8.43(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(2-fluorophenyl)pyrazin-2-yl]-4-(quinolin-4-ylmethyl)morpholine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=CN=CC(=N2)C3CN(CCO3)C(=O)CC4=CNC5=CC=CC=C54

DOS

IR

Vibrations