Geometry & MOs

Info

ID:	390576
PubChem CID:	134999800
Reduced:	FOH13C15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	378.140199
ΔH_f, kcal/mol:	-32.03
Dipole, Da:	1.34
IP(EA), eV:	-9.42(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/[C@H](C2=CC=C(C=C2)F)O

DOS

IR

Vibrations