Geometry & MOs

Info

ID:	312873
PubChem CID:	126609362
Reduced:	IN6O8C19H35 (1)
Stoich.:	AB6C8D19E35 (1)
Weight, g/mol:	357.04504
ΔH_f, kcal/mol:	-290.97
Dipole, Da:	3.54
IP(EA), eV:	-8.21(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-1-(4-methylcyclohexyl)pyrazolo[3,4-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(=O)N(CCCNC(=O)CCC(=O)N(CCCNC(=O)CCC(=O)N(CCCNI)O)O)O

DOS

IR

Vibrations