Geometry & MOs

Info

ID:	287712
PubChem CID:	104252611
Reduced:	ON5C8H17 (1)
Stoich.:	AB5C8D17 (1)
Weight, g/mol:	230.151809
ΔH_f, kcal/mol:	11.78
Dipole, Da:	6.86
IP(EA), eV:	-9.63(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methoxy-3-oxo-2-propan-2-ylhexanoate

Drug info:

PubChemData

Smile

CC(CC1=NN=NN1CCCN)OC

DOS

IR

Vibrations