Geometry & MOs

Info

ID:	48331
PubChem CID:	10538951
Reduced:	NOSH13C15 (1)
Stoich.:	ABCD13E15 (1)
Weight, g/mol:	255.183444
ΔH_f, kcal/mol:	34.17
Dipole, Da:	1.85
IP(EA), eV:	-9.11(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-3-methoxy-1-methyl-4-propan-2-yloxy-2,5-dihydropyridin-6-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CS)C2=NC3=CC=CC=C3O2

DOS

IR

Vibrations