Geometry & MOs

Info

ID:	362578
PubChem CID:	127308310
Reduced:	ClN3O3C19H26 (1)
Stoich.:	AB3C3D19E26 (1)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-114.19
Dipole, Da:	3.86
IP(EA), eV:	-8.8(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylpyrazol-1-yl)-N-[2-(oxan-2-ylmethoxy)phenyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2CN(CCN2C1)C(=O)NC3=C(C=CC(=C3)Cl)OCC4CCCO4

DOS

IR

Vibrations