Geometry & MOs

Info

ID:	128964
PubChem CID:	51064217
Reduced:	O4C21H30 (1)
Stoich.:	A4B21C30 (1)
Weight, g/mol:	291.137162
ΔH_f, kcal/mol:	-182.16
Dipole, Da:	5.37
IP(EA), eV:	-9.78(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(anilinomethylidene)-5-methyl-2-(4-methylphenyl)pyrazol-3-one

Drug info:

PubChemData

Smile

C[C@]12CCC3C(C1C(=O)CC2)CC4C5([C@@]3(CC6(CC5)OCCO6)C)O4

DOS

IR

Vibrations