Geometry & MOs

Info

ID:	292453
PubChem CID:	115001443
Reduced:	N3C13H23 (1)
Stoich.:	A3B13C23 (1)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	-10.52
Dipole, Da:	5.23
IP(EA), eV:	-8.57(1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-methyl-3-(2-methylphenoxy)propanoate

Drug info:

PubChemData

Smile

CC(C)NCCC1=NC=C(N1)C2CCCC2

DOS

IR

Vibrations