Geometry & MOs

Info

ID:	128326
PubChem CID:	51039726
Reduced:	N2O4H16C17 (1)
Stoich.:	A2B4C16D17 (1)
Weight, g/mol:	350.170253
ΔH_f, kcal/mol:	-113.44
Dipole, Da:	6.16
IP(EA), eV:	-8.7(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[5-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]pentylamino]methyl]-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC(=C(C2=CC=CC=C21)OC)CN3C=CC(=O)NC3=O

DOS

IR

Vibrations