Geometry & MOs

Info

ID:	141117
PubChem CID:	52820752
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	373.157246
ΔH_f, kcal/mol:	-119.98
Dipole, Da:	4.18
IP(EA), eV:	-8.86(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-phenylbutanoyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCC(=O)N2CCOCC2)C(=O)CCCC3=CC=CC=C3

DOS

IR

Vibrations