Geometry & MOs

Info

ID:	361998
PubChem CID:	127305344
Reduced:	SN4O4C17H28 (1)
Stoich.:	AB4C4D17E28 (1)
Weight, g/mol:	334.200491
ΔH_f, kcal/mol:	-147.15
Dipole, Da:	2.2
IP(EA), eV:	-9.54(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-(pyrazol-1-ylmethyl)morpholine-4-carbonyl]piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1CCC(CC1)NS(=O)(=O)CC(=O)N2CCOC(C2)CN3C=CC=N3

DOS

IR

Vibrations