Geometry & MOs

Info

ID:	127024
PubChem CID:	50987808
Reduced:	NOC26H27 (1)
Stoich.:	ABC26D27 (1)
Weight, g/mol:	200.104859
ΔH_f, kcal/mol:	60.59
Dipole, Da:	1.21
IP(EA), eV:	-8.49(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-oxo-3-propanoylhexanoate

Drug info:

PubChemData

Smile

CC/C(=C(/C1=CC=CC=C1)\C2=CC=C(C=C2)OCCN3CC3)/C4=CC=CC=C4

DOS

IR

Vibrations