Geometry & MOs

Info

ID:	76234
PubChem CID:	48424643
Reduced:	NO2C16H29 (1)
Stoich.:	AB2C16D29 (1)
Weight, g/mol:	388.156912
ΔH_f, kcal/mol:	-116.58
Dipole, Da:	3.51
IP(EA), eV:	-9.39(1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-oxo-3-phenyl-1-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)NC(=O)C(C)OCC2CC2

DOS

IR

Vibrations