Geometry & MOs

Info

ID:	415613
PubChem CID:	135088612
Reduced:	SN3O3C21H23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	330.230728
ΔH_f, kcal/mol:	-82.13
Dipole, Da:	5.2
IP(EA), eV:	-8.68(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)CCN3C4=CC=CC=C4NC3=O)C5=C1SC=C5

DOS

IR

Vibrations