Geometry & MOs

Info

ID:	191845
PubChem CID:	78194130
Reduced:	ON4C18H22 (1)
Stoich.:	AB4C18D22 (1)
Weight, g/mol:	314.13789
ΔH_f, kcal/mol:	-2.85
Dipole, Da:	1.86
IP(EA), eV:	-8.76(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-[2-(2,5-dimethoxyphenyl)ethyl]-4a,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1C(NC2C1C(=O)NC(N2)N)CCC3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations