Geometry & MOs

Info

ID:	414796
PubChem CID:	135087759
Reduced:	Cl2N2O2C17H22 (1)
Stoich.:	A2B2C2D17E22 (1)
Weight, g/mol:	338.166414
ΔH_f, kcal/mol:	-87.29
Dipole, Da:	2.0
IP(EA), eV:	-9.15(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-7-[2-(benzenesulfonyl)ethyl]-1,2,3,4,5,6,8,8a-octahydro-1,7-naphthyridin-4a-yl]methanol

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3=CC(=C(C=C3)Cl)Cl)CO

DOS

IR

Vibrations