Geometry & MOs

Info

ID:	8032
PubChem CID:	74778
Reduced:	NO4C18H27 (1)
Stoich.:	AB4C18D27 (1)
Weight, g/mol:	321.194008
ΔH_f, kcal/mol:	-118.48
Dipole, Da:	7.65
IP(EA), eV:	-10.17(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl) dodecanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations