Geometry & MOs

Info

ID:	145757
PubChem CID:	53587720
Reduced:	SO2N3C16H27 (1)
Stoich.:	AB2C3D16E27 (1)
Weight, g/mol:	345.099252
ΔH_f, kcal/mol:	-108.56
Dipole, Da:	6.19
IP(EA), eV:	-9.28(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethyl] 1,5-dimethylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CN(C(C)C)C(=O)NCCC(=O)NC(C)C

DOS

IR

Vibrations