Geometry & MOs

Info

ID:	377979
PubChem CID:	134224046
Reduced:	BrNCl2O3H16C24 (1)
Stoich.:	ABC2D3E16F24 (1)
Weight, g/mol:	375.096139
ΔH_f, kcal/mol:	-41.52
Dipole, Da:	2.17
IP(EA), eV:	-9.27(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1-methyl-N-(2-methyl-3-propan-2-yloxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(N1C3=CC=C(C=C3)Cl)C=C(C=C2)Br)C(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations