Geometry & MOs

Info

ID:

165597

PubChem CID:

74573934

Reduced:

N5C15H24 (1)

Stoich.:

A5B15C24 (1)

Weight, g/mol:

220.121178

ΔHf, kcal/mol:

92.25

Dipole, Da:

5.57

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.840322

Charge, e:

 0

Chem-info

IUPAC name:

N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-3H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C)C(C)[NH2+]CC2=CC(=NN2)C3CC3

DOS

IR

Vibrations