Geometry & MOs

Info

ID:	207336
PubChem CID:	80381114
Reduced:	O2N6C9H12 (1)
Stoich.:	A2B6C9D12 (1)
Weight, g/mol:	302.11611
ΔH_f, kcal/mol:	25.1
Dipole, Da:	7.1
IP(EA), eV:	-10.11(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)piperazine-1-sulfonamide

Drug info:

PubChemData

Smile

CCC1=NC(=NN1)C(=O)NCC2=NC(=NO2)C

DOS

IR

Vibrations