Geometry & MOs

Info

ID:	13052
PubChem CID:	220384
Reduced:	NO5C18H25 (1)
Stoich.:	AB5C18D25 (1)
Weight, g/mol:	335.173273
ΔH_f, kcal/mol:	-149.63
Dipole, Da:	8.55
IP(EA), eV:	-10.26(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-acetyl-2-[2-(4-nitrophenyl)ethyl]hexanoate

Drug info:

PubChemData

Smile

CCCCC(CCC1=CC=C(C=C1)[N+](=O)[O-])(C(=O)C)C(=O)OCC

DOS

IR

Vibrations