Geometry & MOs

Info

ID:	49441
PubChem CID:	11533028
Reduced:	Cl2N2O3H16C20 (1)
Stoich.:	A2B2C3D16E20 (1)
Weight, g/mol:	475.15418
ΔH_f, kcal/mol:	-24.8
Dipole, Da:	2.42
IP(EA), eV:	-8.88(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-3-methoxypyrazolo[1,5-a]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN1CC(C2=C(C1)C(=CC(=C2)Cl)Cl)C3=CC(=CC=C3)NC4C(=O)C(=O)C4=O

DOS

IR

Vibrations