Geometry & MOs

Info

ID:

307186

PubChem CID:

125275662

Reduced:

NO4C14H21 (2)

Stoich.:

AB4C14D21 (2)

Weight, g/mol:

355.108754

ΔHf, kcal/mol:

-347.12

Dipole, Da:

10.68

IP(EA), eV:

 -9.48(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(3-chloro-4-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-[(4-methylphenyl)methyl]-1,4-dihydropyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@]12CC/C(=N/OCC(=O)NCCCCC(=O)O)/C=C1CC[C@H]3[C@H]2[C@H](C[C@@]4([C@@H]3CC[C@]4(C(=O)CO)O)C)O

DOS

IR

Vibrations