Geometry & MOs

Info

ID:	71405
PubChem CID:	48414800
Reduced:	O2N3C19H25 (1)
Stoich.:	A2B3C19D25 (1)
Weight, g/mol:	333.151098
ΔH_f, kcal/mol:	-18.77
Dipole, Da:	1.63
IP(EA), eV:	-8.92(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-but-3-ynylpiperazin-1-yl)-4-oxobutyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCCNC(=O)C2=CC=CC=C2

DOS

IR

Vibrations