Geometry & MOs

Info

ID:	13131
PubChem CID:	221861
Reduced:	NO4C17H17 (1)
Stoich.:	AB4C17D17 (1)
Weight, g/mol:	299.115758
ΔH_f, kcal/mol:	-53.4
Dipole, Da:	4.97
IP(EA), eV:	-9.36(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-tert-butylphenyl) 4-nitrobenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations