Geometry & MOs

Info

ID:	68202
PubChem CID:	46507958
Reduced:	FN4O6H23C25 (1)
Stoich.:	AB4C6D23E25 (1)
Weight, g/mol:	403.161995
ΔH_f, kcal/mol:	-214.55
Dipole, Da:	3.37
IP(EA), eV:	-8.92(-1.02)
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-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC(=O)NC2=C(OC3=CC=CC=C32)C(=O)N4CCOCC4)C5=CC=C(C=C5)F

DOS

IR

Vibrations