Geometry & MOs

Info

ID:	255184
PubChem CID:	103130562
Reduced:	N2O2C13H20 (1)
Stoich.:	A2B2C13D20 (1)
Weight, g/mol:	292.02113
ΔH_f, kcal/mol:	-50.96
Dipole, Da:	6.25
IP(EA), eV:	-9.21(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-3,5-dimethylphenyl)-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)C(C2CCCCC2)OC

DOS

IR

Vibrations