Geometry & MOs

Info

ID:	246022
PubChem CID:	103036219
Reduced:	NO2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	281.162708
ΔH_f, kcal/mol:	-53.5
Dipole, Da:	5.95
IP(EA), eV:	-8.48(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methoxy-3-methylbutyl) 3-(3-aminophenoxy)propanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCCC(C)(C)OC)C#CCN

DOS

IR

Vibrations