Geometry & MOs

Info

ID:	45571
PubChem CID:	10515069
Reduced:	FeC15H18 (1)
Stoich.:	AB15C18 (1)
Weight, g/mol:	254.116761
ΔH_f, kcal/mol:	77.01
Dipole, Da:	2.48
IP(EA), eV:	-8.35(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-7-benzyl-3-methylpyrrolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(CC=C)[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2]

DOS

IR

Vibrations