Geometry & MOs

Info

ID:	145241
PubChem CID:	53484344
Reduced:	Cl2O2N3C19H31 (1)
Stoich.:	A2B2C3D19E31 (1)
Weight, g/mol:	819.378455
ΔH_f, kcal/mol:	-159.35
Dipole, Da:	6.62
IP(EA), eV:	-8.94(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methoxyphenyl)-diphenylmethyl]-9-[(1R,3R)-2-methylidene-4-phenylmethoxy-3-(phenylmethoxymethyl)cyclopentyl]-6-phenylmethoxypurin-2-amine

Drug info:

PubChemData

Smile

C1CC(CCC1CN)C(=O)NC2=CC=C(C=C2)CN3CCOCC3.Cl.Cl

DOS

IR

Vibrations