Geometry & MOs

Info

ID:	362719
PubChem CID:	127309264
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-110.5
Dipole, Da:	4.96
IP(EA), eV:	-8.69(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)N1CCN2CCCC2C1)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations