Geometry & MOs

Info

ID:	151473
PubChem CID:	53812467
Reduced:	OC12H14 (1)
Stoich.:	AB12C14 (1)
Weight, g/mol:	307.128054
ΔH_f, kcal/mol:	-18.17
Dipole, Da:	3.18
IP(EA), eV:	-9.09(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl N-[6-oxo-9-(2-oxopropyl)-3H-purin-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(=O)CCC=CC1=CC=CC=C1

DOS

IR

Vibrations