Geometry & MOs

Info

ID:	163440
PubChem CID:	57955646
Reduced:	O2F3N5C20H22 (1)
Stoich.:	A2B3C5D20E22 (1)
Weight, g/mol:	514.178998
ΔH_f, kcal/mol:	-145.92
Dipole, Da:	7.68
IP(EA), eV:	-8.68(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-N-(2-phenylpropan-2-yl)propanamide

Drug info:

PubChemData

Smile

CN1C2=CN=C(N=C2N(CC(C1=O)(F)F)C3CCCC3)NC4=C(C=CC(=C4)F)OC

DOS

IR

Vibrations