Geometry & MOs

Info

ID:	297677
PubChem CID:	117625453
Reduced:	BrF2N3C8H10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	392.221226
ΔH_f, kcal/mol:	-68.85
Dipole, Da:	3.59
IP(EA), eV:	-9.4(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2E)-2-[5-[2-(2,6-dimethylphenyl)ethyl]-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinyl]-5-methyl-2-propyl-1H-pyrazol-3-one

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)Br)N2CCC(C2)(F)F

DOS

IR

Vibrations