Geometry & MOs

Info

ID:	158941
PubChem CID:	57244260
Reduced:	SN2O3H16C20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	474.31071
ΔH_f, kcal/mol:	8.36
Dipole, Da:	6.96
IP(EA), eV:	-8.91(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[5-(dimethylamino)-4-methyl-1-piperidin-1-ylpentyl]-3-oxoquinoxalin-2-yl]benzenecarboximidamide

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)C#CC3=CC=C(C=C3)O

DOS

IR

Vibrations