Geometry & MOs

Info

ID:	73806
PubChem CID:	48420491
Reduced:	NO4H21C23 (1)
Stoich.:	AB4C21D23 (1)
Weight, g/mol:	346.131742
ΔH_f, kcal/mol:	-62.63
Dipole, Da:	3.92
IP(EA), eV:	-8.6(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(pyridin-4-yl)methyl] 4-acetamidobenzoate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)/C=C/C(=O)OC(C2=CC=CC=C2)C3=CC=NC=C3

DOS

IR

Vibrations