Geometry & MOs

Info

ID:	254075
PubChem CID:	103122528
Reduced:	BrON3C11H16 (1)
Stoich.:	ABC3D11E16 (1)
Weight, g/mol:	257.093104
ΔH_f, kcal/mol:	1.29
Dipole, Da:	6.76
IP(EA), eV:	-9.31(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(chloromethyl)-5-methylmorpholin-4-yl]-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)N(C)CC2CC(C2)Br

DOS

IR

Vibrations