Geometry & MOs

Info

ID:	395657
PubChem CID:	135026143
Reduced:	O3C12H22 (2)
Stoich.:	A3B12C22 (2)
Weight, g/mol:	303.147058
ΔH_f, kcal/mol:	-337.29
Dipole, Da:	2.35
IP(EA), eV:	-9.22(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-(4-methoxyphenyl)-4-oxo-2,3-dihydropyridine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)CCCC(C)CCCC(=CCCC(=O)CC(=O)OCC(CO)(CO)CO)C

DOS

IR

Vibrations