Geometry & MOs

Info

ID:	360205
PubChem CID:	127300848
Reduced:	SO2N4C19H30 (1)
Stoich.:	AB2C4D19E30 (1)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	-84.13
Dipole, Da:	2.19
IP(EA), eV:	-8.94(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1H-inden-4-yl-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN2CCCN(CC2)C(=O)CNC(=O)CC3CCCC3

DOS

IR

Vibrations