Geometry & MOs

Info

ID:	350800
PubChem CID:	127279088
Reduced:	ON7C21H33 (1)
Stoich.:	AB7C21D33 (1)
Weight, g/mol:	357.227709
ΔH_f, kcal/mol:	5.55
Dipole, Da:	7.06
IP(EA), eV:	-9.03(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylcyclohexyl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCCC1=NC2=NC=NN2C(=C1)N3CCN(CC3)CC(=O)NC4CCC(CC4)C

DOS

IR

Vibrations