Geometry & MOs

Info

ID:	19701
PubChem CID:	570745
Reduced:	F3N3O3H14C15 (1)
Stoich.:	A3B3C3D14E15 (1)
Weight, g/mol:	341.098726
ΔH_f, kcal/mol:	-230.48
Dipole, Da:	3.59
IP(EA), eV:	-10.01(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-benzamido-3-[2-(trifluoromethyl)-1H-imidazol-5-yl]propanoate

Drug info:

PubChemData

Smile

COC(=O)C(CC1=CN=C(N1)C(F)(F)F)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations