Geometry & MOs

Info

ID:	422616
PubChem CID:	135118144
Reduced:	N2O4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	356.156992
ΔH_f, kcal/mol:	-146.01
Dipole, Da:	2.24
IP(EA), eV:	-8.88(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-7-(2-fluoro-4-methylphenyl)sulfonyl-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)COC3=CC=CC=C3OC)CO

DOS

IR

Vibrations