Geometry & MOs

Info

ID:	170887
PubChem CID:	75294573
Reduced:	SN4O5C19H22 (1)
Stoich.:	AB4C5D19E22 (1)
Weight, g/mol:	394.211724
ΔH_f, kcal/mol:	-150.99
Dipole, Da:	2.99
IP(EA), eV:	-8.7(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-benzyl-6-(6-pyrrolidin-1-ylpurin-9-yl)morpholin-2-yl]methanol

Drug info:

PubChemData

Smile

C1=CSC(=C1)CCNC(=O)NC2=CC3=C(C=C2)N=C(N3)C4C(C(C(O4)CO)O)O

DOS

IR

Vibrations