Geometry & MOs

Info

ID:	60017
PubChem CID:	26664668
Reduced:	N2O3C18H18 (1)
Stoich.:	A2B3C18D18 (1)
Weight, g/mol:	397.175004
ΔH_f, kcal/mol:	9.43
Dipole, Da:	3.58
IP(EA), eV:	-9.3(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)N(C)C(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations