Geometry & MOs

Info

ID:	14055
PubChem CID:	402961
Reduced:	N3O3C19H19 (1)
Stoich.:	A3B3C19D19 (1)
Weight, g/mol:	337.142641
ΔH_f, kcal/mol:	-18.47
Dipole, Da:	6.86
IP(EA), eV:	-8.37(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC(=C(C=C3)O)OC

DOS

IR

Vibrations