Geometry & MOs

Info

ID:	166096
PubChem CID:	74637186
Reduced:	ClN2O2C18H25 (1)
Stoich.:	AB2C2D18E25 (1)
Weight, g/mol:	433.18758
ΔH_f, kcal/mol:	-105.3
Dipole, Da:	2.06
IP(EA), eV:	-9.2(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-[[(6-tert-butyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl)hydrazinylidene]methyl]-5-methyl-2-phenylpyrazol-3-olate

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C(C(C)C)NC(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations