Geometry & MOs

Info

ID:	332741
PubChem CID:	127251051
Reduced:	O2N5C25H27 (1)
Stoich.:	A2B5C25D27 (1)
Weight, g/mol:	405.185255
ΔH_f, kcal/mol:	30.07
Dipole, Da:	4.01
IP(EA), eV:	-8.59(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethylphenyl)-1-[2-[6-(3-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC2=NC(=C(N2C=C1)CN3CCOC(C3)C4=NC(=CN=C4)C5=CC=C(C=C5)OC)C

DOS

IR

Vibrations