Geometry & MOs

Info

ID:

402727

PubChem CID:

135057038

Reduced:

BOPC9H11 (1)

Stoich.:

ABCD9E11 (1)

Weight, g/mol:

219.032714

ΔHf, kcal/mol:

93.91

Dipole, Da:

7.51

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.754612

Charge, e:

0

Chem-info

IUPAC name:

(2Z)-N-(2H-tetrazol-5-ylamino)thiophene-2-carboximidoyl isocyanide

Drug info:

PubChemData

Smile

[B][P+](C)(CC=O)C1=CC=CC=C1

DOS

IR

Vibrations