Geometry & MOs

Info

ID:	425877
PubChem CID:	135128812
Reduced:	N8C21H28 (1)
Stoich.:	A8B21C28 (1)
Weight, g/mol:	406.259343
ΔH_f, kcal/mol:	93.37
Dipole, Da:	4.53
IP(EA), eV:	-7.9(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-ethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrrolidin-1-ylpurin-6-amine

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC=C(C=C2)NC3=C4C(=NC(=N3)N5CCCC5)N(C=N4)C

DOS

IR

Vibrations