Geometry & MOs

Info

ID:	9593
PubChem CID:	91278
Reduced:	ON3C19H19 (1)
Stoich.:	AB3C19D19 (1)
Weight, g/mol:	305.152812
ΔH_f, kcal/mol:	56.93
Dipole, Da:	6.32
IP(EA), eV:	-8.25(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(dimethylamino)phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C1=CC2=CC=C(C=C2)N(C)C)C3=CC=CC=C3

DOS

IR

Vibrations