Geometry & MOs

Info

ID:	202395
PubChem CID:	79667096
Reduced:	NO3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	252.158626
ΔH_f, kcal/mol:	-105.16
Dipole, Da:	3.88
IP(EA), eV:	-8.69(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethylmorpholin-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanone

Drug info:

PubChemData

Smile

CCN1CCOC(C1)C(=O)C2=C(C=C(C=C2)OC)C

DOS

IR

Vibrations