Geometry & MOs

Info

ID:	193939
PubChem CID:	78459336
Reduced:	OS2N3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	411.204573
ΔH_f, kcal/mol:	68.58
Dipole, Da:	4.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.994296
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(4-methylphenyl)propylamino]-2-oxoethyl] 4-(4-acetylphenoxy)butanoate

Drug info:

PubChemData

Smile

CC1C[NH+](CCN1C(=O)C2=CSC(=N2)C3=CC=CS3)CC4=CC=CC=C4

DOS

IR

Vibrations