Geometry & MOs

Info

ID:	68662
PubChem CID:	46508859
Reduced:	O4N5C21H23 (1)
Stoich.:	A4B5C21D23 (1)
Weight, g/mol:	420.248504
ΔH_f, kcal/mol:	35.27
Dipole, Da:	3.7
IP(EA), eV:	-8.9(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)CC4=CC=CC=C4[N+](=O)[O-]

DOS

IR

Vibrations