Geometry & MOs

Info

ID:	351261
PubChem CID:	127280149
Reduced:	O3N4C21H32 (1)
Stoich.:	A3B4C21D32 (1)
Weight, g/mol:	351.172896
ΔH_f, kcal/mol:	-88.19
Dipole, Da:	7.74
IP(EA), eV:	-8.75(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-N-methyl-2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CN(C1CCCCC1)C(=O)CN2CCN(CC2)C(=O)C3=NOC4=C3CCCC4

DOS

IR

Vibrations