Geometry & MOs

Info

ID:

407524

PubChem CID:

135080270

Reduced:

OSN2C10H11 (1)

Stoich.:

ABC2D10E11 (1)

Weight, g/mol:

148.112624

ΔHf, kcal/mol:

27.65

Dipole, Da:

3.0

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.902556

Charge, e:

 1

Chem-info

IUPAC name:

(E)-benzylidene(propyl)azanium

Drug info:

PubChemData

Smile

CC1=CC(=[NH+]N1C(=O)C2=CC=CS2)C

DOS

IR

Vibrations