Geometry & MOs

Info

ID:	423052
PubChem CID:	135118843
Reduced:	ON4C18H18 (1)
Stoich.:	AB4C18D18 (1)
Weight, g/mol:	352.182064
ΔH_f, kcal/mol:	71.82
Dipole, Da:	3.21
IP(EA), eV:	-9.12(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(N(C1)CC2=CN=C(N=C2)C3=CC=CC=N3)C4=CC=CO4

DOS

IR

Vibrations