Geometry & MOs

Info

ID:	382146
PubChem CID:	134973105
Reduced:	ON2H11C12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	444.09094
ΔH_f, kcal/mol:	5.16
Dipole, Da:	4.53
IP(EA), eV:	-8.54(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[1-benzyl-8-bromo-6-oxo-9-(oxolan-2-yl)purin-2-yl]-N,N-dimethylmethanimidamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1CC3([C@@H]4N2CCC4)C5=CC=CC=C5C(=O)NC3=O)C6=CC=CC=C6

DOS

IR

Vibrations