Geometry & MOs

Info

ID:	284781
PubChem CID:	104071149
Reduced:	ClFN4C12H12 (1)
Stoich.:	ABC4D12E12 (1)
Weight, g/mol:	233.116427
ΔH_f, kcal/mol:	9.36
Dipole, Da:	2.61
IP(EA), eV:	-8.94(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-(aminomethyl)furan-2-yl]methyl]-2,6-dimethylpyrimidin-4-one

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)F)C2=NC=NC(=C2Cl)N

DOS

IR

Vibrations