Geometry & MOs

Info

ID:	448830
PubChem CID:	135293869
Reduced:	NOC34H43 (1)
Stoich.:	ABC34D43 (1)
Weight, g/mol:	204.112344
ΔH_f, kcal/mol:	18.18
Dipole, Da:	1.87
IP(EA), eV:	-8.34(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-pyrrolidin-1-yl-7H-purin-8-amine

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\C(=C(/C1=CC=CC=C1)\C2=CC=C(C=C2)OCCN(C)C)\C3=CC=CC=C3

DOS

IR

Vibrations