Geometry & MOs

Info

ID:	311890
PubChem CID:	126598889
Reduced:	N3O5H19C21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	501.151155
ΔH_f, kcal/mol:	-93.64
Dipole, Da:	7.04
IP(EA), eV:	-8.9(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-[3-(oxetan-3-yloxy)-6-[6-[[3-(trifluoromethoxy)phenyl]methylamino]pyridin-3-yl]pyridin-2-yl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=CN=C(N=C2)NCC3=CC(=CC=C3)C=O)OCC(=O)O

DOS

IR

Vibrations