Geometry & MOs

Info

ID:	269939
PubChem CID:	103620584
Reduced:	BrN2O2H11C15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	218.105528
ΔH_f, kcal/mol:	-16.09
Dipole, Da:	6.63
IP(EA), eV:	-9.96(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(furan-2-ylmethylamino)methyl]-1-methylpyridin-2-one

Drug info:

PubChemData

Smile

C1C=CCC2C1C(=O)N(C2=O)C3=C(C=C(C=C3)C#N)Br

DOS

IR

Vibrations