Geometry & MOs

Info

ID:	392631
PubChem CID:	135017420
Reduced:	OBr2N2H6C9 (1)
Stoich.:	AB2C2D6E9 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	20.12
Dipole, Da:	1.21
IP(EA), eV:	-9.55(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[7-[(3,5-ditert-butylphenyl)methyl]-6-oxo-3H-purin-2-yl]acetamide

Drug info:

PubChemData

Smile

C1=CN(C=C1)C(=O)C2=CC(=C(N2)Br)Br

DOS

IR

Vibrations