Geometry & MOs

Info

ID:	362533
PubChem CID:	127308148
Reduced:	BrO2N4C15H17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-17.3
Dipole, Da:	4.87
IP(EA), eV:	-9.28(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methylphenyl)morpholine-4-carboxamide

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)NC2=CC=CC=C2Br)CN3C=CC=N3

DOS

IR

Vibrations