Geometry & MOs

Info

ID:	19626
PubChem CID:	569367
Reduced:	NO3H13C15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	255.089543
ΔH_f, kcal/mol:	-78.09
Dipole, Da:	1.8
IP(EA), eV:	-8.69(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-acetamidophenyl) benzoate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations