Geometry & MOs

Info

ID:

30181

PubChem CID:

840505

Reduced:

INOC6H7 (1)

Stoich.:

ABCD6E7 (1)

Weight, g/mol:

309.184112

ΔHf, kcal/mol:

3.2

Dipole, Da:

6.93

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.774833

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-methylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)methanimine

Drug info:

PubChemData

Smile

C[N+]1=CC=CC(=C1I)O

DOS

IR

Vibrations