Geometry & MOs

Info

ID:	266435
PubChem CID:	103566208
Reduced:	NO5C12H13 (1)
Stoich.:	AB5C12D13 (1)
Weight, g/mol:	295.141973
ΔH_f, kcal/mol:	-162.39
Dipole, Da:	7.54
IP(EA), eV:	-9.57(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-carbamoyl-5-methoxyphenoxy)hexanoate

Drug info:

PubChemData

Smile

CC(COC1=CC(=CC(=C1)OC)C#N)(C(=O)O)O

DOS

IR

Vibrations