Geometry & MOs

Info

ID:	226973
PubChem CID:	87559299
Reduced:	ON5C33H49 (1)
Stoich.:	AB5C33D49 (1)
Weight, g/mol:	483.138146
ΔH_f, kcal/mol:	4.82
Dipole, Da:	4.37
IP(EA), eV:	-8.02(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[2-[[3,5-bis(trifluoromethyl)phenyl]methylamino]ethyl]phenoxy]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCN(CCCC)C1=CC=CC(=C1)/C=C/C(=O)C2=C(C=C(C=C2)N3CCN(CC3)C)N4CCN(CC4)C

DOS

IR

Vibrations