Geometry & MOs

Info

ID:	145638
PubChem CID:	53563185
Reduced:	SN2O3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	346.24811
ΔH_f, kcal/mol:	-108.62
Dipole, Da:	1.02
IP(EA), eV:	-9.29(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC(=O)C2CCCCC2)C3=CSC=C3

DOS

IR

Vibrations