Geometry & MOs

Info

ID:	73808
PubChem CID:	48420494
Reduced:	N2O3H14C18 (1)
Stoich.:	A2B3C14D18 (1)
Weight, g/mol:	337.086956
ΔH_f, kcal/mol:	7.04
Dipole, Da:	2.4
IP(EA), eV:	-9.57(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(pyridin-4-yl)methyl] 2-(4-chlorophenyl)acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=NC=C2)OC(=O)C3=C[N+](=CC=C3)[O-]

DOS

IR

Vibrations