Geometry & MOs

Info

ID:	68334
PubChem CID:	46508208
Reduced:	F3O4N6H21C22 (1)
Stoich.:	A3B4C6D21E22 (1)
Weight, g/mol:	435.151824
ΔH_f, kcal/mol:	-176.51
Dipole, Da:	11.67
IP(EA), eV:	-9.25(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[benzyl(methyl)amino]-2-oxoethyl] 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)COC(=O)CC3=C(N4C(=NC(=N4)C(F)(F)F)N=C3C)C

DOS

IR

Vibrations