Geometry & MOs

Info

ID:	350798
PubChem CID:	127279086
Reduced:	FON5C21H28 (1)
Stoich.:	ABC5D21E28 (1)
Weight, g/mol:	385.259009
ΔH_f, kcal/mol:	-54.19
Dipole, Da:	1.82
IP(EA), eV:	-8.9(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)CN2CCN(CC2)C3=NC=NC4=C3C(=CC=C4)F

DOS

IR

Vibrations