Geometry & MOs

Info

ID:	390733
PubChem CID:	135000631
Reduced:	OC16H20 (1)
Stoich.:	AB16C20 (1)
Weight, g/mol:	344.155849
ΔH_f, kcal/mol:	-31.93
Dipole, Da:	3.07
IP(EA), eV:	-9.25(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-tert-butyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1,6-naphthyridine

Drug info:

PubChemData

Smile

C/C(=C\C1=CC=CC=C1)/C2CCCCC(=O)C2

DOS

IR

Vibrations