Geometry & MOs

Info

ID:	417918
PubChem CID:	135103068
Reduced:	ON5C20H21 (1)
Stoich.:	AB5C20D21 (1)
Weight, g/mol:	368.176979
ΔH_f, kcal/mol:	49.58
Dipole, Da:	6.82
IP(EA), eV:	-9.72(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=CC=CC=C2)C(=O)NCC3=NC(=NN3)C4=CC=NC=C4

DOS

IR

Vibrations