Geometry & MOs

Info

ID:	347047
PubChem CID:	127271551
Reduced:	O2N5C13H21 (1)
Stoich.:	A2B5C13D21 (1)
Weight, g/mol:	399.205259
ΔH_f, kcal/mol:	-19.69
Dipole, Da:	5.42
IP(EA), eV:	-9.86(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC1N(CC2CCOC2)C(=O)NCCN3C=NC=N3

DOS

IR

Vibrations