Geometry & MOs

Info

ID:	195307
PubChem CID:	78671801
Reduced:	N3O4C21H25 (1)
Stoich.:	A3B4C21D25 (1)
Weight, g/mol:	405.216475
ΔH_f, kcal/mol:	-100.74
Dipole, Da:	6.87
IP(EA), eV:	-8.38(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(diethylamino)-N-[(2,4-dimethyl-5-oxo-1-phenylpyrazol-3-yl)methylideneamino]benzamide

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)C(=O)NN=C(C)C2=CC(=CC=C2)OCC(=O)O

DOS

IR

Vibrations