Geometry & MOs

Info

ID:	38620
PubChem CID:	8137266
Reduced:	O3N4H20C21 (1)
Stoich.:	A3B4C20D21 (1)
Weight, g/mol:	392.148455
ΔH_f, kcal/mol:	-17.47
Dipole, Da:	2.89
IP(EA), eV:	-9.54(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(1,2,4-triazol-1-yl)benzoate

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)N4C=NC=N4

DOS

IR

Vibrations