Geometry & MOs

Info

ID:	132064
PubChem CID:	51301504
Reduced:	N2O2C10H13 (2)
Stoich.:	A2B2C10D13 (2)
Weight, g/mol:	371.166748
ΔH_f, kcal/mol:	-57.61
Dipole, Da:	8.7
IP(EA), eV:	-9.05(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CC4)[N+](=O)[O-]

DOS

IR

Vibrations