Geometry & MOs

Info

ID:	237484
PubChem CID:	92719337
Reduced:	O3N5C22H27 (1)
Stoich.:	A3B5C22D27 (1)
Weight, g/mol:	409.21139
ΔH_f, kcal/mol:	-60.6
Dipole, Da:	3.14
IP(EA), eV:	-8.93(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (7S)-5-methyl-7-(4-methylphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)-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=C(C=C3)C)CC(=O)N4CCCC4)C

DOS

IR

Vibrations