Geometry & MOs

Info

ID:	8989
PubChem CID:	84647
Reduced:	NO4H11C14 (1)
Stoich.:	AB4C11D14 (1)
Weight, g/mol:	257.068808
ΔH_f, kcal/mol:	-37.99
Dipole, Da:	4.58
IP(EA), eV:	-9.9(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-nitrobenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations