Geometry & MOs

Info

ID:	85745
PubChem CID:	49878676
Reduced:	FON4C21H23 (1)
Stoich.:	ABC4D21E23 (1)
Weight, g/mol:	292.153541
ΔH_f, kcal/mol:	-5.61
Dipole, Da:	5.52
IP(EA), eV:	-8.56(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)acetamide

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)C2=NN3C=CC=CC3=C2)CC4=CC=CC=C4F

DOS

IR

Vibrations