Geometry & MOs

Info

ID:	335901
PubChem CID:	127254763
Reduced:	ClFN3O4C21H21 (1)
Stoich.:	ABC3D4E21F21 (1)
Weight, g/mol:	383.120524
ΔH_f, kcal/mol:	-178.98
Dipole, Da:	9.39
IP(EA), eV:	-9.17(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=C(C=C(C=C3)F)Cl)O

DOS

IR

Vibrations