Geometry & MOs

Info

ID:	422718
PubChem CID:	135118296
Reduced:	SO2N3C19H25 (1)
Stoich.:	AB2C3D19E25 (1)
Weight, g/mol:	288.183778
ΔH_f, kcal/mol:	-56.46
Dipole, Da:	4.83
IP(EA), eV:	-9.06(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)C=CC(=C2)C(=O)N3CC[C@]4(CCCN([C@@H]4C3)C)CO

DOS

IR

Vibrations