Geometry & MOs

Info

ID:	415380
PubChem CID:	135088374
Reduced:	SN2O4C19H24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	344.246378
ΔH_f, kcal/mol:	-135.95
Dipole, Da:	6.86
IP(EA), eV:	-8.69(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)CC2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations