Geometry & MOs

Info

ID:	47739
PubChem CID:	10535012
Reduced:	O3H8C9 (1)
Stoich.:	A3B8C9 (1)
Weight, g/mol:	164.069811
ΔH_f, kcal/mol:	-93.29
Dipole, Da:	6.61
IP(EA), eV:	-9.65(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=O)OC2

DOS

IR

Vibrations