Geometry & MOs

Info

ID:	433900
PubChem CID:	135174047
Reduced:	O2N7C28H33 (1)
Stoich.:	A2B7C28D33 (1)
Weight, g/mol:	467.172417
ΔH_f, kcal/mol:	-8.61
Dipole, Da:	2.61
IP(EA), eV:	-8.39(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[bis[(4-methoxyphenyl)methyl]amino]-2-chloro-9-propan-2-yl-7H-purin-8-one

Drug info:

PubChemData

Smile

C1CCC(C1)N2C3=NC(=NC(=C3N(C2=O)C4=CC(=CC=C4)O)N)NC5=CC=C(C=C5)CCN6CCCC6

DOS

IR

Vibrations