Geometry & MOs

Info

ID:	220426
PubChem CID:	85189546
Reduced:	ON3H23C24 (1)
Stoich.:	AB3C23D24 (1)
Weight, g/mol:	369.216475
ΔH_f, kcal/mol:	52.43
Dipole, Da:	2.9
IP(EA), eV:	-9.01(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(1-butoxy-3-phenylmethoxybutan-2-yl)purin-6-amine

Drug info:

PubChemData

Smile

CCNC1=NC(C(N1C(=O)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations