Geometry & MOs

Info

ID:	237472
PubChem CID:	92719299
Reduced:	F2O3N5H21C23 (1)
Stoich.:	A2B3C5D21E23 (1)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	-117.16
Dipole, Da:	3.68
IP(EA), eV:	-9.42(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (7R)-5-methyl-4-[2-(2-methylpropylamino)-2-oxoethyl]-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)F)F)C

DOS

IR

Vibrations