Geometry & MOs

Info

ID:	44409
PubChem CID:	10503404
Reduced:	NO5H25C27 (1)
Stoich.:	AB5C25D27 (1)
Weight, g/mol:	443.19574
ΔH_f, kcal/mol:	-120.44
Dipole, Da:	6.67
IP(EA), eV:	-8.35(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-bis(cyclopropylmethyl)-7-(naphthalen-2-ylmethyl)-2,6-dioxopurine-8-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(CC(=O)C2=CC=CC=C2)C3CC(=O)NC4=CC=CC=C4C3=O)OC

DOS

IR

Vibrations