Geometry & MOs

Info

ID:	123453
PubChem CID:	50848328
Reduced:	SN5O6C16H19 (1)
Stoich.:	AB5C6D16E19 (1)
Weight, g/mol:	430.236876
ΔH_f, kcal/mol:	-179.16
Dipole, Da:	3.28
IP(EA), eV:	-9.47(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dimethylphenyl)-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1S(=O)(=O)CCC(=O)NCC3=CC=CO3

DOS

IR

Vibrations