Geometry & MOs

Info

ID:	416819
PubChem CID:	135090479
Reduced:	NO2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	343.171834
ΔH_f, kcal/mol:	-144.99
Dipole, Da:	3.51
IP(EA), eV:	-9.41(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C[C@]([C@H]1O)(CC2=CC=CC=C2)C(=O)O)CC(=O)NC3CC3

DOS

IR

Vibrations