Geometry & MOs

Info

ID:	82618
PubChem CID:	49856250
Reduced:	ON4C27H34 (1)
Stoich.:	AB4C27D34 (1)
Weight, g/mol:	505.208945
ΔH_f, kcal/mol:	14.41
Dipole, Da:	5.28
IP(EA), eV:	-9.05(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]-2-[3-(trifluoromethyl)anilino]benzamide

Drug info:

PubChemData

Smile

CC(C)CC1=CC=C(C=C1)C(C)C(=O)NCCN(CC2=CC=CC=N2)CC3=CC=CC=N3

DOS

IR

Vibrations