Geometry & MOs

Info

ID:	367013
PubChem CID:	127322868
Reduced:	N3O4C22H27 (1)
Stoich.:	A3B4C22D27 (1)
Weight, g/mol:	388.211055
ΔH_f, kcal/mol:	-132.45
Dipole, Da:	2.52
IP(EA), eV:	-9.06(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-methyl-1-oxo-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]butan-2-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCCOC1=NC(=CC2=CC=CC=C21)C(=O)N3CCN(CC3)C(=O)C4CCCO4

DOS

IR

Vibrations