Geometry & MOs

Info

ID:	135679
PubChem CID:	51914027
Reduced:	NO6C25H25 (1)
Stoich.:	AB6C25D25 (1)
Weight, g/mol:	371.173273
ΔH_f, kcal/mol:	-170.71
Dipole, Da:	6.88
IP(EA), eV:	-8.34(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 3,5-dimethoxybenzoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=C(C=CC=C3OC)OC

DOS

IR

Vibrations