Geometry & MOs

Info

ID:	340491
PubChem CID:	127262502
Reduced:	SN2O3C17H18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	330.103814
ΔH_f, kcal/mol:	-62.38
Dipole, Da:	4.98
IP(EA), eV:	-9.33(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(thiophene-3-carbonyl)phenyl]methyl piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1)C(=O)OCC2=CC=C(C=C2)C(=O)C3=CC=CS3

DOS

IR

Vibrations