Geometry & MOs

Info

ID:	179559
PubChem CID:	76499686
Reduced:	N4O5C25H26 (1)
Stoich.:	A4B5C25D26 (1)
Weight, g/mol:	247.132077
ΔH_f, kcal/mol:	-115.56
Dipole, Da:	6.72
IP(EA), eV:	-8.27(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(methoxyamino)pent-1-enyl]-2-methyl-6-oxo-3H-pyridine-5-carbonitrile

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC2=C3C(=CN(C3=NC=N2)C4C(C(C(O4)CO)O)O)C5=CC=CC=C5

DOS

IR

Vibrations