Geometry & MOs

Info

ID:	415678
PubChem CID:	135088677
Reduced:	SN2O4C20H28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	381.227709
ΔH_f, kcal/mol:	-158.6
Dipole, Da:	7.47
IP(EA), eV:	-8.79(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)C(=O)C(C)N(C3=CC=CC=C3)S(=O)(=O)C)OCC1

DOS

IR

Vibrations