Geometry & MOs

Info

ID:	414565
PubChem CID:	135087524
Reduced:	SO2N5C22H23 (1)
Stoich.:	AB2C5D22E23 (1)
Weight, g/mol:	314.163043
ΔH_f, kcal/mol:	19.02
Dipole, Da:	6.5
IP(EA), eV:	-9.34(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dimethoxyphenyl)-N-[1-(6-methylpyridin-3-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CCC1=NN2C(=O)C=C(N=C2S1)CN3C[C@H]([C@@H](C3)O)CC4=CC=NC5=CC=CC=C45

DOS

IR

Vibrations