Geometry & MOs

Info

ID:	188133
PubChem CID:	77671179
Reduced:	NO4C18H21 (1)
Stoich.:	AB4C18D21 (1)
Weight, g/mol:	429.142849
ΔH_f, kcal/mol:	-118.8
Dipole, Da:	3.34
IP(EA), eV:	-8.84(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]-8-chloro-1,3-dimethyl-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CC=CC(=O)OC(C)C(=O)C1=C(N(C(=C1)C)CC2=CC=CO2)C

DOS

IR

Vibrations