Geometry & MOs

Info

ID:	306685
PubChem CID:	125165315
Reduced:	F2N3O3C18H21 (1)
Stoich.:	A2B3C3D18E21 (1)
Weight, g/mol:	356.14601
ΔH_f, kcal/mol:	-170.41
Dipole, Da:	2.42
IP(EA), eV:	-8.56(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methyl-5-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C[C@@H](COC)N(CC1=C(C=CC(=C1)F)F)C(=O)NC2=CN=C(C=C2)OC

DOS

IR

Vibrations