Geometry & MOs

Info

ID:	71383
PubChem CID:	48414746
Reduced:	N3O3C20H23 (1)
Stoich.:	A3B3C20D23 (1)
Weight, g/mol:	367.135448
ΔH_f, kcal/mol:	-46.61
Dipole, Da:	7.57
IP(EA), eV:	-8.67(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCC(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations