Geometry & MOs

Info

ID:	408030
PubChem CID:	135080785
Reduced:	ON3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	234.125594
ΔH_f, kcal/mol:	29.72
Dipole, Da:	4.43
IP(EA), eV:	-9.46(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(3-oxopentan-2-yl)benzoate

Drug info:

PubChemData

Smile

CC(CCC1=CC=CC=C1)(CO)N=[N+]=[N-]

DOS

IR

Vibrations