Geometry & MOs

Info

ID:

299959

PubChem CID:

118043415

Reduced:

NSO2C19H24 (1)

Stoich.:

ABC2D19E24 (1)

Weight, g/mol:

161.084064

ΔHf, kcal/mol:

-23.85

Dipole, Da:

3.4

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.562134

Charge, e:

 0

Chem-info

IUPAC name:

4-(prop-1-en-2-ylamino)benzaldehyde

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)/C=C/C2=CC=[N+](C=C2)CCS)OCC

DOS

IR

Vibrations