Geometry & MOs

Info

ID:	340483
PubChem CID:	127262494
Reduced:	NO2C16H19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	229.110279
ΔH_f, kcal/mol:	-53.33
Dipole, Da:	2.14
IP(EA), eV:	-8.58(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dimethylphenyl) 4H-pyridine-1-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OC(=O)N2C=CCC=C2)CC

DOS

IR

Vibrations