Geometry & MOs

Info

ID:	120985
PubChem CID:	50752733
Reduced:	O4N5C21H27 (1)
Stoich.:	A4B5C21D27 (1)
Weight, g/mol:	483.147345
ΔH_f, kcal/mol:	-97.9
Dipole, Da:	1.7
IP(EA), eV:	-9.12(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-7-(4-fluorophenyl)-5-methyl-7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C2=NC=NN2C1C3=CC=C(C=C3)C)CC(=O)NCCOC)C

DOS

IR

Vibrations