Geometry & MOs

Info

ID:	325286
PubChem CID:	126682487
Reduced:	FN4O4C24H27 (1)
Stoich.:	AB4C4D24E27 (1)
Weight, g/mol:	397.175004
ΔH_f, kcal/mol:	-155.45
Dipole, Da:	11.24
IP(EA), eV:	-8.97(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN=C2N1C=C(NC2=O)CCCC(=O)N3CCC(CC3)C(=O)C4=CC(=C(C=C4)OC)F

DOS

IR

Vibrations