Geometry & MOs

Info

ID:

223752

PubChem CID:

85335525

Reduced:

O4N5C30H37 (1)

Stoich.:

A4B5C30D37 (1)

Weight, g/mol:

534.122546

ΔHf, kcal/mol:

-68.84

Dipole, Da:

4.99

IP(EA), eV:

 -8.51(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-cyclopropyl-5-[4-[(2,6-dichlorobenzoyl)amino]-6-oxocyclohexa-2,4-dien-1-ylidene]-N-(2-phenylethyl)-1H-pyrazole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(C1=CC=CC=C1)NC2=C(C(=O)N(NC2=O)C3CCCCC3)N=C4C=CC=C(C4=O)C(=O)N(C)C

DOS

IR

Vibrations