Geometry & MOs

Info

ID:	25418
PubChem CID:	624487
Reduced:	OSN2H12C16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	281.116427
ΔH_f, kcal/mol:	8.79
Dipole, Da:	3.16
IP(EA), eV:	-8.42(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(furan-2-ylmethylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C3=C(S2)C4=CC=CC=C4C(=O)N3)C

DOS

IR

Vibrations