Geometry & MOs

Info

ID:	332780
PubChem CID:	127251090
Reduced:	OF2N3H19C21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	408.135304
ΔH_f, kcal/mol:	-38.66
Dipole, Da:	2.81
IP(EA), eV:	-8.99(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[4-[(2-chlorophenyl)methyl]morpholin-2-yl]pyrazin-2-yl]benzamide

Drug info:

PubChemData

Smile

C1COC(CN1CC2=CC=C(C=C2)F)C3=NC=CN=C3C4=CC(=CC=C4)F

DOS

IR

Vibrations