Geometry & MOs

Info

ID:	448749
PubChem CID:	135293259
Reduced:	O2N6C15H18 (1)
Stoich.:	A2B6C15D18 (1)
Weight, g/mol:	531.150522
ΔH_f, kcal/mol:	-19.04
Dipole, Da:	3.03
IP(EA), eV:	-8.92(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N'-diamino-N-[2-(2,4-difluorophenyl)-3,3-difluoro-3-[5-[[4-(trifluoromethoxy)phenyl]methoxy]pyridin-2-yl]propyl]methanimidamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CNC(=O)NC2=NC=C(C(=C2)N)C(=N)N

DOS

IR

Vibrations