Geometry & MOs

Info

ID:

390178

PubChem CID:

134997582

Reduced:

PN3O4H36C41 (1)

Stoich.:

AB3C4D36E41 (1)

Weight, g/mol:

382.971913

ΔHf, kcal/mol:

2.75

Dipole, Da:

13.97

IP(EA), eV:

 -7.37(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(Z)-C-phenyl-N-(1,2,2-trichloroethenyl)carbonimidoyl]-5-(trifluoromethyl)-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)N2C=[N+]3[C@H](CCC3=N2)CC4=CC=CC=C4)C.C1=CC=C2C(=C1)C=CC3=C2C4=C(C=CC5=CC=CC=C54)OP(=O)(O3)[O-]

DOS

IR

Vibrations