Geometry & MOs

Info

ID:	419646
PubChem CID:	135108620
Reduced:	SO3N4C14H24 (1)
Stoich.:	AB3C4D14E24 (1)
Weight, g/mol:	314.199428
ΔH_f, kcal/mol:	-110.92
Dipole, Da:	6.13
IP(EA), eV:	-9.29(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=N1)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)C

DOS

IR

Vibrations