Geometry & MOs

Info

ID:	140950
PubChem CID:	52788771
Reduced:	NO6C19H21 (1)
Stoich.:	AB6C19D21 (1)
Weight, g/mol:	385.188923
ΔH_f, kcal/mol:	-212.65
Dipole, Da:	3.77
IP(EA), eV:	-8.74(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-tert-butylanilino)-2-oxoethyl] 3-(3-hydroxy-4-methoxyphenyl)propanoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCC(=O)OCC(=O)NC2=CC(=CC=C2)OC)O

DOS

IR

Vibrations