Geometry & MOs

Info

ID:	71727
PubChem CID:	48415269
Reduced:	N2O2C15H26 (1)
Stoich.:	A2B2C15D26 (1)
Weight, g/mol:	381.151098
ΔH_f, kcal/mol:	-54.83
Dipole, Da:	3.97
IP(EA), eV:	-8.97(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)COCCC(=O)N1CCN(CC1)CCC#C

DOS

IR

Vibrations