Geometry & MOs

Info

ID:	292190
PubChem CID:	114468417
Reduced:	BrNO2H16C17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	226.142976
ΔH_f, kcal/mol:	-34.06
Dipole, Da:	8.15
IP(EA), eV:	-8.55(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-ethyl-1,2,4-triazol-3-yl)methoxymethyl]morpholine

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)NCC2=CC(=CC3=C2OCC3)Br

DOS

IR

Vibrations