Geometry & MOs

Info

ID:	134188
PubChem CID:	51659974
Reduced:	NSC8H19 (1)
Stoich.:	ABC8D19 (1)
Weight, g/mol:	439.21951
ΔH_f, kcal/mol:	-33.77
Dipole, Da:	1.36
IP(EA), eV:	-8.5(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-ethyl-2-[5-methyl-7-oxo-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide

Drug info:

PubChemData

Smile

CCCCS[C@H](C)CCN

DOS

IR

Vibrations