Geometry & MOs

Info

ID:	332717
PubChem CID:	127251027
Reduced:	FO4N5C21H22 (1)
Stoich.:	AB4C5D21E22 (1)
Weight, g/mol:	431.175753
ΔH_f, kcal/mol:	-147.95
Dipole, Da:	4.64
IP(EA), eV:	-9.5(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CCCN2C(=O)CNC2=O)C3=NC(=CN=C3)C4=CC(=CC=C4)F

DOS

IR

Vibrations