Geometry & MOs

Info

ID:	355952
PubChem CID:	127290942
Reduced:	BrN2O2C17H23 (1)
Stoich.:	AB2C2D17E23 (1)
Weight, g/mol:	321.216475
ΔH_f, kcal/mol:	-74.27
Dipole, Da:	3.01
IP(EA), eV:	-9.52(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-methylpyrazol-4-yl)methyl]-N-(oxan-3-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)C(C2=CC=C(C=C2)Br)NC(=O)NC3CCCOC3

DOS

IR

Vibrations