Geometry & MOs

Info

ID:	332708
PubChem CID:	127250994
Reduced:	N3O3C23H29 (1)
Stoich.:	A3B3C23D29 (1)
Weight, g/mol:	421.18017
ΔH_f, kcal/mol:	-77.84
Dipole, Da:	5.12
IP(EA), eV:	-9.04(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]-3-(2-methoxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=CN=CC(=N2)C3CN(CCO3)C(=O)CCC4CCCC4

DOS

IR

Vibrations