Geometry & MOs

Info

ID:

436503

PubChem CID:

135204653

Reduced:

FO3N7C30H34 (1)

Stoich.:

AB3C7D30E34 (1)

Weight, g/mol:

434.05486

ΔHf, kcal/mol:

-34.55

Dipole, Da:

4.08

IP(EA), eV:

 -8.38(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-[(3,4-dichlorophenyl)methyl]-4-methyl-1,2-dihydrotriazole-5-carbonyl]imino-5-methyl-6-oxocyclohexa-1,4-diene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=NO1)C(=O)NCC2=C(C=C(C=C2)C3=C4C(=NC=C3)NN=C4N[C@H]5CCCC[C@@H]5NC(=O)C=C)F

DOS

IR

Vibrations