Geometry & MOs

Info

ID:	388046
PubChem CID:	134987957
Reduced:	ClNO2H8C10 (1)
Stoich.:	ABC2D8E10 (1)
Weight, g/mol:	214.19328
ΔH_f, kcal/mol:	-43.84
Dipole, Da:	3.38
IP(EA), eV:	-9.89(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-tert-butyl-3-methylhexanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)Cl)N=C=O

DOS

IR

Vibrations