Geometry & MOs

Info

ID:	309917
PubChem CID:	126566986
Reduced:	F3N4O4H27C28 (1)
Stoich.:	A3B4C4D27E28 (1)
Weight, g/mol:	429.09364
ΔH_f, kcal/mol:	-226.93
Dipole, Da:	3.72
IP(EA), eV:	-9.05(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[[3-(trifluoromethoxy)phenyl]methylamino]pyridin-3-yl]-1,3-benzoxazole-6-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C1=CC(=CC(=C1OC)CN2C=CN=C2)C3=CN=C(C=C3)NCC4=CC(=CC=C4)OC(F)(F)F)C(=O)O

DOS

IR

Vibrations