Geometry & MOs

Info

ID:	382122
PubChem CID:	134973070
Reduced:	BrO2N6C12H15 (1)
Stoich.:	AB2C6D12E15 (1)
Weight, g/mol:	388.02834
ΔH_f, kcal/mol:	-10.89
Dipole, Da:	12.02
IP(EA), eV:	-8.74(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(1-benzoyl-8-bromo-6-oxo-7H-purin-2-yl)-N,N-dimethylmethanimidamide

Drug info:

PubChemData

Smile

CN(C)/C=N/C1=NC(=O)C2=C(N1)N(C(=N2)Br)C3CCCO3

DOS

IR

Vibrations