Geometry & MOs

Info

ID:	339136
PubChem CID:	127260515
Reduced:	O4H16C17 (1)
Stoich.:	A4B16C17 (1)
Weight, g/mol:	273.063722
ΔH_f, kcal/mol:	-115.31
Dipole, Da:	2.14
IP(EA), eV:	-9.26(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methoxy-4-nitrophenyl) benzoate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)OC(=O)C2=CC=CC=C2)C(=O)C)OC

DOS

IR

Vibrations