Geometry & MOs

Info

ID:	415083
PubChem CID:	135088069
Reduced:	NO2C22H27 (1)
Stoich.:	AB2C22D27 (1)
Weight, g/mol:	330.18559
ΔH_f, kcal/mol:	-72.5
Dipole, Da:	4.29
IP(EA), eV:	-8.89(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-fluorophenyl)methyl-methylamino]-N-[2-[(3-methylpyridin-4-yl)amino]ethyl]acetamide

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)C(=O)CC3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations