Geometry & MOs

Info

ID:	30789
PubChem CID:	841885
Reduced:	ClSN2O2H13C17 (1)
Stoich.:	ABC2D2E13F17 (1)
Weight, g/mol:	316.988945
ΔH_f, kcal/mol:	6.57
Dipole, Da:	4.9
IP(EA), eV:	-9.1(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(2,3-dichlorophenyl)-2-ethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1COC2=CC=C(C=C2)Cl)C(=O)NC3=NC=CS3

DOS

IR

Vibrations