Geometry & MOs

Info

ID:	133809
PubChem CID:	51591784
Reduced:	O3N4C8H14 (1)
Stoich.:	A3B4C8D14 (1)
Weight, g/mol:	383.19574
ΔH_f, kcal/mol:	-38.69
Dipole, Da:	4.25
IP(EA), eV:	-9.52(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-tert-butyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C[C@H](CN(C)C(=O)C1=NON=C1N)OC

DOS

IR

Vibrations