Geometry & MOs

Info

ID:	271469
PubChem CID:	103680313
Reduced:	NO4C17H23 (1)
Stoich.:	AB4C17D23 (1)
Weight, g/mol:	256.074245
ΔH_f, kcal/mol:	-171.92
Dipole, Da:	3.73
IP(EA), eV:	-9.57(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1H-imidazole-5-sulfonamide

Drug info:

PubChemData

Smile

CCN(C(=O)OCC1=CC=CC=C1)C2(CCC(C2)C)C(=O)O

DOS

IR

Vibrations