Geometry & MOs

Info

ID:	14177
PubChem CID:	405832
Reduced:	OCl2N4C14H16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	326.070116
ΔH_f, kcal/mol:	30.48
Dipole, Da:	4.59
IP(EA), eV:	-9.46(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dichloro-4,4-bis(3,5-dimethylpyrazol-1-yl)but-3-en-2-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1C(=CC(=O)C(Cl)Cl)N2C(=CC(=N2)C)C)C

DOS

IR

Vibrations