Geometry & MOs

Info

ID:	237439
PubChem CID:	92719226
Reduced:	O3N5C23H23 (1)
Stoich.:	A3B5C23D23 (1)
Weight, g/mol:	485.167474
ΔH_f, kcal/mol:	-18.86
Dipole, Da:	3.13
IP(EA), eV:	-9.05(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (7R)-5-methyl-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-7-phenyl-7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C2=NC=NN2[C@H]1C3=CC=CC=C3)CC(=O)NC4=CC=CC=C4)C

DOS

IR

Vibrations