Geometry & MOs

Info

ID:	68384
PubChem CID:	46508309
Reduced:	N3O6C20H27 (1)
Stoich.:	A3B6C20D27 (1)
Weight, g/mol:	450.115104
ΔH_f, kcal/mol:	-259.46
Dipole, Da:	6.21
IP(EA), eV:	-9.6(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C(=O)COC(=O)CC(C2=CC=CC=C2)NC(=O)N

DOS

IR

Vibrations