Geometry & MOs

Info

ID:	69131
PubChem CID:	46519452
Reduced:	SO2N5C22H23 (1)
Stoich.:	AB2C5D22E23 (1)
Weight, g/mol:	369.099252
ΔH_f, kcal/mol:	4.09
Dipole, Da:	5.0
IP(EA), eV:	-8.63(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 5-chloro-1,3-dimethylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)NC3=CC=CC=C3C(=O)NC4CC4

DOS

IR

Vibrations