Geometry & MOs

Info

ID:	332782
PubChem CID:	127251092
Reduced:	ClO2N3C16H16 (1)
Stoich.:	AB2C3D16E16 (1)
Weight, g/mol:	388.153541
ΔH_f, kcal/mol:	-25.55
Dipole, Da:	4.15
IP(EA), eV:	-9.41(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-benzoylmorpholin-2-yl)pyrazin-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(=O)N1CCOC(C1)C2=NC=CN=C2C3=CC(=CC=C3)Cl

DOS

IR

Vibrations