Geometry & MOs

Info

ID:	359996
PubChem CID:	127300140
Reduced:	OSN5C16H23 (1)
Stoich.:	ABC5D16E23 (1)
Weight, g/mol:	321.216475
ΔH_f, kcal/mol:	-17.91
Dipole, Da:	6.71
IP(EA), eV:	-8.68(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]morpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(S1)NC(=O)NC2CCC3=NC(=CN3C2)C(C)(C)C

DOS

IR

Vibrations