Geometry & MOs

Info

ID:	363924
PubChem CID:	127313581
Reduced:	NOSC11H21 (1)
Stoich.:	ABCD11E21 (1)
Weight, g/mol:	247.168462
ΔH_f, kcal/mol:	-80.75
Dipole, Da:	2.75
IP(EA), eV:	-8.61(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,3-dimethylpiperidin-1-yl)-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC(C1)(C)C)SC

DOS

IR

Vibrations