Geometry & MOs

Info

ID:	254132
PubChem CID:	103122919
Reduced:	BrON3C10H16 (1)
Stoich.:	ABC3D10E16 (1)
Weight, g/mol:	243.077454
ΔH_f, kcal/mol:	-27.09
Dipole, Da:	7.6
IP(EA), eV:	-9.72(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(chloromethyl)morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC(C(C)(C)NC(=O)C1=NN(C=C1)C)Br

DOS

IR

Vibrations