Geometry & MOs

Info

ID:	426132
PubChem CID:	135140940
Reduced:	FO4N6H29C30 (1)
Stoich.:	AB4C6D29E30 (1)
Weight, g/mol:	444.271211
ΔH_f, kcal/mol:	-73.11
Dipole, Da:	2.82
IP(EA), eV:	-8.76(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[methyl-[2-(2-methylpropylamino)ethyl]amino]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC(=CC=C2)OCC3=C(C=C(C=C3)N)F)CC4=NC5=C(N4CC6=NC=CO6)C=C(C=C5)C(=O)O

DOS

IR

Vibrations