Geometry & MOs

Info

ID:	400070
PubChem CID:	135045020
Reduced:	N2O2C15H16 (1)
Stoich.:	A2B2C15D16 (1)
Weight, g/mol:	328.99459
ΔH_f, kcal/mol:	-42.29
Dipole, Da:	3.13
IP(EA), eV:	-9.86(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromo-6-methylsulfanylpurin-9-yl)methyl]-N-methylacetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC=N1)C2=CC=CC=C2)C(=O)OC(C)C

DOS

IR

Vibrations