Geometry & MOs

Info

ID:	131969
PubChem CID:	51284896
Reduced:	N2O3H14C18 (1)
Stoich.:	A2B3C14D18 (1)
Weight, g/mol:	399.198048
ΔH_f, kcal/mol:	-32.53
Dipole, Da:	6.93
IP(EA), eV:	-9.25(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=CC=CC=C2C#N

DOS

IR

Vibrations