Geometry & MOs

Info

ID:	356044
PubChem CID:	127291080
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	307.200825
ΔH_f, kcal/mol:	-68.09
Dipole, Da:	3.56
IP(EA), eV:	-9.35(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(COC1)NC(=O)N2CC3=CC=CC=C3C2

DOS

IR

Vibrations