Geometry & MOs

Info

ID:	158720
PubChem CID:	56465214
Reduced:	O3N5C25H31 (1)
Stoich.:	A3B5C25D31 (1)
Weight, g/mol:	424.247441
ΔH_f, kcal/mol:	-80.29
Dipole, Da:	3.24
IP(EA), eV:	-8.69(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(furan-2-carbonyl)-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2N(C1=O)CC(=O)NC(CN3CCN(CC3)C)C4=CC=CC=C4

DOS

IR

Vibrations