Geometry & MOs

Info

ID:	378409
PubChem CID:	134224489
Reduced:	N2O2H20C21 (1)
Stoich.:	A2B2C20D21 (1)
Weight, g/mol:	435.084219
ΔH_f, kcal/mol:	-13.03
Dipole, Da:	4.38
IP(EA), eV:	-8.52(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[5-(4-fluoropyridin-3-yl)pyridin-2-yl]carbamoyl]-2-(trifluoromethoxy)benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N

DOS

IR

Vibrations