Geometry & MOs

Info

ID:	47745
PubChem CID:	10535035
Reduced:	BNO2C8H12 (1)
Stoich.:	ABC2D8E12 (1)
Weight, g/mol:	165.06506
ΔH_f, kcal/mol:	-137.99
Dipole, Da:	4.32
IP(EA), eV:	-8.38(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1-methyl-7H-purin-8-one

Drug info:

PubChemData

Smile

B(C1=CC(=CC=C1)NCC)(O)O

DOS

IR

Vibrations