Geometry & MOs

Info

ID:	422233
PubChem CID:	135117452
Reduced:	SN4O4C15H24 (1)
Stoich.:	AB4C4D15E24 (1)
Weight, g/mol:	332.246378
ΔH_f, kcal/mol:	-154.18
Dipole, Da:	8.66
IP(EA), eV:	-9.38(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CN1C)S(=O)(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)C(=O)O

DOS

IR

Vibrations