Geometry & MOs

Info

ID:	73795
PubChem CID:	48420459
Reduced:	NO4H19C22 (1)
Stoich.:	AB4C19D22 (1)
Weight, g/mol:	348.111007
ΔH_f, kcal/mol:	-79.22
Dipole, Da:	3.89
IP(EA), eV:	-9.4(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=NC(=CC=C1)C(=O)OC(CC2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations