Geometry & MOs

Info

ID:	64589
PubChem CID:	29203111
Reduced:	ON2C13H15 (2)
Stoich.:	AB2C13D15 (2)
Weight, g/mol:	449.08379
ΔH_f, kcal/mol:	-24.18
Dipole, Da:	3.41
IP(EA), eV:	-8.69(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 3-bromo-5-methoxy-4-propoxybenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=C(C=C3)C)C(=O)NCCCN4CCCC4=O

DOS

IR

Vibrations