Geometry & MOs

Info

ID:	63712
PubChem CID:	26759028
Reduced:	NO6C21H25 (1)
Stoich.:	AB6C21D25 (1)
Weight, g/mol:	387.168188
ΔH_f, kcal/mol:	-208.29
Dipole, Da:	8.49
IP(EA), eV:	-8.71(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 3,4-dimethoxybenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCCC1=CC=C(C=C1)OC)OC(=O)C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations