Geometry & MOs

Info

ID:

429713

PubChem CID:

135169764

Reduced:

O2N5H33C56 (1)

Stoich.:

A2B5C33D56 (1)

Weight, g/mol:

280.093581

ΔHf, kcal/mol:

245.95

Dipole, Da:

2.37

IP(EA), eV:

 -8.22(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1Z)-2-[(Z)-N-imidazo[1,2-a]pyridin-3-yl-C-(trifluoromethyl)carbonimidoyl]buta-1,3-dien-1-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC4=C3OC5=CC=CC=C45)C6=CC=CC(=C6)C7=CC(=CC=C7)N8C9=C(C1=C8C2=C(C=C1)N=C(O2)C1=CC=CC=C1)C1=CC=CC=C1C=C9

DOS

IR

Vibrations