Geometry & MOs

Info

ID:	56784
PubChem CID:	22389689
Reduced:	NO2C18H35 (1)
Stoich.:	AB2C18D35 (1)
Weight, g/mol:	346.116486
ΔH_f, kcal/mol:	-128.51
Dipole, Da:	1.22
IP(EA), eV:	-8.78(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-acetyl-1,4-dihydroxy-2,6-dimethyl-4-(2-nitrophenyl)pyridin-3-yl]ethanone

Drug info:

PubChemData

Smile

CCCCCCN(CCCCCC)C(CC)OC(=O)C=C

DOS

IR

Vibrations