Geometry & MOs

Info

ID:	37988
PubChem CID:	8026247
Reduced:	ClO2N4C21H23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	391.189592
ΔH_f, kcal/mol:	-39.47
Dipole, Da:	9.24
IP(EA), eV:	-8.89(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)N[C@H](C)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations