Geometry & MOs

Info

ID:	187999
PubChem CID:	77652702
Reduced:	N4O13C45H69 (1)
Stoich.:	A4B13C45D69 (1)
Weight, g/mol:	328.049381
ΔH_f, kcal/mol:	-503.02
Dipole, Da:	7.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.025825
Charge, e:	0

Chem-info

IUPAC name:

7-(2,4-dichlorophenyl)-1-methyl-4a,5,6,7,8,8a-hexahydropteridine-2,4-dione

Drug info:

PubChemData

Smile

COCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C1=CC=CC=C1C2=NC3=[N+](C(=O)N(C(=O)C3=N2)CC4CCCCC4)CC5CCCCC5

DOS

IR

Vibrations