Geometry & MOs

Info

ID:	22654
PubChem CID:	598209
Reduced:	BrClN2O2H12C13 (1)
Stoich.:	ABC2D2E12F13 (1)
Weight, g/mol:	341.97707
ΔH_f, kcal/mol:	-28.15
Dipole, Da:	3.78
IP(EA), eV:	-9.19(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-3,5-dimethylpyrazol-1-yl)-(5-chloro-2-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(=O)C2=C(C=CC(=C2)Cl)OC)C)Br

DOS

IR

Vibrations