Geometry & MOs

Info

ID:

30093

PubChem CID:

839846

Reduced:

N2C10H13 (1)

Stoich.:

A2B10C13 (1)

Weight, g/mol:

202.096694

ΔHf, kcal/mol:

57.56

Dipole, Da:

1.54

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.984981

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4-methylphenyl)methylideneamino]tetrazol-5-amine

Drug info:

PubChemData

Smile

CC1=CC=[N+]2N1C(=CC(=C2)C)C

DOS

IR

Vibrations