Geometry & MOs

Info

ID:	334373
PubChem CID:	127252925
Reduced:	F3N3O4H18C22 (1)
Stoich.:	A3B3C4D18E22 (1)
Weight, g/mol:	408.241293
ΔH_f, kcal/mol:	-267.11
Dipole, Da:	5.91
IP(EA), eV:	-8.47(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dimethoxyphenyl)-N-[2-[1-(2-methylpropyl)indol-3-yl]ethyl]propanamide

Drug info:

PubChemData

Smile

C1[C@@H]2CN(C[C@H]1C3=CC=CC(=O)N3C2)C(=O)C4=CNC5=C(C4=O)C=CC=C5OC(F)(F)F

DOS

IR

Vibrations