Geometry & MOs

Info

ID:	68371
PubChem CID:	46508276
Reduced:	OS2N5C20H21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	424.13584
ΔH_f, kcal/mol:	52.71
Dipole, Da:	3.4
IP(EA), eV:	-8.63(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenoxy)ethyl 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate

Drug info:

PubChemData

Smile

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC=NC3=C2SC=C3)C4CCCC4)C

DOS

IR

Vibrations