Geometry & MOs

Info

ID:	49308
PubChem CID:	11532778
Reduced:	SN2O3F4H16C22 (1)
Stoich.:	AB2C3D4E16F22 (1)
Weight, g/mol:	463.190566
ΔH_f, kcal/mol:	-245.04
Dipole, Da:	4.85
IP(EA), eV:	-9.95(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=C(C=C1)C2=CC=C(C=C2)F)C(=O)N3CC4=C(C3)N=CC(=C4)C(F)(F)F

DOS

IR

Vibrations