Geometry & MOs

Info

ID:	4651
PubChem CID:	11809
Reduced:	BrO3N7C24H30 (1)
Stoich.:	AB3C7D24E30 (1)
Weight, g/mol:	543.15935
ΔH_f, kcal/mol:	7.2
Dipole, Da:	2.83
IP(EA), eV:	-8.5(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-1,3-dimethyl-7H-purine-2,6-dione;N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Br.CN(C)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2

DOS

IR

Vibrations