Geometry & MOs

Info

ID:	325285
PubChem CID:	126682486
Reduced:	FO3N5C21H24 (1)
Stoich.:	AB3C5D21E24 (1)
Weight, g/mol:	454.201634
ΔH_f, kcal/mol:	-115.89
Dipole, Da:	10.89
IP(EA), eV:	-8.67(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[4-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3-methyl-7H-imidazo[1,2-a]pyrazin-8-one

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C=C1)C2CCN(CC2)C(=O)CCCC3=CN4C=C(C=C4C(=O)N3)F

DOS

IR

Vibrations