Geometry & MOs

Info

ID:	68613
PubChem CID:	46508766
Reduced:	FN3O3H20C22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	395.136923
ΔH_f, kcal/mol:	-57.53
Dipole, Da:	6.9
IP(EA), eV:	-9.0(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[1-(2-fluorophenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C2=NC3=C(C(=NO3)C)C(=C2)C(=O)NC(C)C4=CC=CC=C4F

DOS

IR

Vibrations