Geometry & MOs

Info

ID:	71360
PubChem CID:	48414682
Reduced:	OSN2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	351.158292
ΔH_f, kcal/mol:	18.74
Dipole, Da:	3.48
IP(EA), eV:	-8.76(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-but-3-ynylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)C(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations