Geometry & MOs

Info

ID:	342547
PubChem CID:	127265702
Reduced:	N5C11H13 (1)
Stoich.:	A5B11C13 (1)
Weight, g/mol:	236.116092
ΔH_f, kcal/mol:	100.5
Dipole, Da:	8.81
IP(EA), eV:	-9.74(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hex-3-enyl-4-methyl-5-nitropyridin-2-one

Drug info:

PubChemData

Smile

CCC=CCCN1C(=C(N=C1N)C#N)C#N

DOS

IR

Vibrations