Geometry & MOs

Info

ID:	338543
PubChem CID:	127259258
Reduced:	NO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	295.105587
ΔH_f, kcal/mol:	-105.17
Dipole, Da:	2.22
IP(EA), eV:	-8.69(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-methylpropanoyl)-4-nitrophenoxy]ethyl acetate

Drug info:

PubChemData

Smile

CC(=O)OC/C=C/1\C(OC2=CC=CC=C21)N3CCCCC3

DOS

IR

Vibrations