Geometry & MOs

Info

ID:	217722
PubChem CID:	85088271
Reduced:	N2O4C23H24 (1)
Stoich.:	A2B4C23D24 (1)
Weight, g/mol:	394.200491
ΔH_f, kcal/mol:	-122.71
Dipole, Da:	11.36
IP(EA), eV:	-9.82(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-7-(5-naphthalen-2-yloxypentyl)-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CC1(CCC(C2=CC3=NC(=O)N(C(=O)C3C=C21)C4=CC=C(C=C4)C(=O)O)(C)C)C

DOS

IR

Vibrations