Geometry & MOs

Info

ID:	64291
PubChem CID:	29198940
Reduced:	BrClN2O4H14C17 (1)
Stoich.:	ABC2D4E14F17 (1)
Weight, g/mol:	426.06914
ΔH_f, kcal/mol:	-93.4
Dipole, Da:	2.62
IP(EA), eV:	-9.28(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]benzohydrazide

Drug info:

PubChemData

Smile

C1COC2=C(C(=CC(=C2)C(=O)NNC(=O)C3=CC=CC=C3Br)Cl)OC1

DOS

IR

Vibrations