Geometry & MOs

Info

ID:	71667
PubChem CID:	48415176
Reduced:	O2N3C22H31 (1)
Stoich.:	A2B3C22D31 (1)
Weight, g/mol:	303.158292
ΔH_f, kcal/mol:	-41.92
Dipole, Da:	2.72
IP(EA), eV:	-8.77(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-but-3-ynylpiperazin-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC(CC(C)C)C(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations