Geometry & MOs

Info

ID:	126123
PubChem CID:	50952977
Reduced:	ClN2O6C18H21 (1)
Stoich.:	AB2C6D18E21 (1)
Weight, g/mol:	276.195011
ΔH_f, kcal/mol:	-234.59
Dipole, Da:	2.39
IP(EA), eV:	-8.81(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methylpiperidin-2-yl)-1-(1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one

Drug info:

PubChemData

Smile

CC[C@@]1([C@@H]2[C@H]([C@H](N1)C3=C(C(=C(C=C3)OC)O)Cl)C(=O)N(C2=O)C)C(=O)OC

DOS

IR

Vibrations