Geometry & MOs

Info

ID:	217339
PubChem CID:	85087650
Reduced:	N2O2C9H9 (2)
Stoich.:	A2B2C9D9 (2)
Weight, g/mol:	356.184841
ΔH_f, kcal/mol:	-10.04
Dipole, Da:	1.41
IP(EA), eV:	-8.75(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-3-propyl-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CN(C)CCNC(=O)C1C=CC=C2C1=NC3=C(C2=O)C=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations