Geometry & MOs

Info

ID:	388160
PubChem CID:	134988360
Reduced:	BrNOH8C10 (1)
Stoich.:	ABCD8E10 (1)
Weight, g/mol:	228.20893
ΔH_f, kcal/mol:	12.93
Dipole, Da:	2.86
IP(EA), eV:	-9.44(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylhexyl 4-methylpentanoate

Drug info:

PubChemData

Smile

C/C=C(\C1=CC=C(C=C1)Br)/N=C=O

DOS

IR

Vibrations