Geometry & MOs

Info

ID:	30090
PubChem CID:	839692
Reduced:	SN4C10H12 (1)
Stoich.:	AB4C10D12 (1)
Weight, g/mol:	340.097855
ΔH_f, kcal/mol:	71.15
Dipole, Da:	4.96
IP(EA), eV:	-8.42(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-2-methylphenyl)-4-[(3-methoxyphenyl)methylidene]-5-methylpyrazol-3-one

Drug info:

PubChemData

Smile

CN1C(=NN=C1SC)C2=CC=C(C=C2)N

DOS

IR

Vibrations