Geometry & MOs

Info

ID:

45017

PubChem CID:

10507230

Reduced:

NOC12H15 (3)

Stoich.:

ABC12D15 (3)

Weight, g/mol:

568.156728

ΔHf, kcal/mol:

-29.18

Dipole, Da:

5.03

IP(EA), eV:

 -8.26(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[4-amino-5-[5-(4-nitrophenyl)furan-2-yl]-1,2,4-triazol-3-yl]ethyl]-5-[5-(4-nitrophenyl)furan-2-yl]-1,2,4-triazol-4-amine

Drug info:

PubChemData

Smile

CC12CC3(CC(C1)(C4N(C2N(C3N4CC5=CC=C(C=C5)OC)CC6=CC=C(C=C6)OC)CC7=CC=C(C=C7)OC)C)C

DOS

IR

Vibrations