Geometry & MOs

Info

ID:	69838
PubChem CID:	47205508
Reduced:	N3O3H13C14 (1)
Stoich.:	A3B3C13D14 (1)
Weight, g/mol:	275.138225
ΔH_f, kcal/mol:	-29.74
Dipole, Da:	1.68
IP(EA), eV:	-8.93(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethylmorpholin-4-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)C(=O)N2CCC3=CC=CC=C32

DOS

IR

Vibrations