Geometry & MOs

Info

ID:	355971
PubChem CID:	127290961
Reduced:	N2O4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	384.19436
ΔH_f, kcal/mol:	-166.53
Dipole, Da:	1.88
IP(EA), eV:	-8.85(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2(CCOCC2)CNC(=O)NC3CCCOC3

DOS

IR

Vibrations