Geometry & MOs

Info

ID:	68400
PubChem CID:	46508342
Reduced:	IN2O4H19C21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	463.146739
ΔH_f, kcal/mol:	-87.52
Dipole, Da:	8.8
IP(EA), eV:	-8.96(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=CC=CC=C12)COC)C(=O)OCC(=O)NC3=CC(=CC=C3)I

DOS

IR

Vibrations