Geometry & MOs

Info

ID:	82617
PubChem CID:	49856249
Reduced:	O2F3N5H32C35 (1)
Stoich.:	A2B3C5D32E35 (1)
Weight, g/mol:	430.273262
ΔH_f, kcal/mol:	-53.54
Dipole, Da:	8.74
IP(EA), eV:	-7.55(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(C2=CC=CC=C2NC3=CC=CC(=C3)C(F)(F)F)C(=O)OCCN(CC4=CC=CC=N4)CC5=CC=CC=N5

DOS

IR

Vibrations