Geometry & MOs

Info

ID:	419526
PubChem CID:	135108346
Reduced:	ON8C14H18 (1)
Stoich.:	AB8C14D18 (1)
Weight, g/mol:	337.182398
ΔH_f, kcal/mol:	66.44
Dipole, Da:	4.67
IP(EA), eV:	-9.12(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2(CCC3=CN=C(N=C32)N)CN(C1)C(=O)CN4C=NN=N4

DOS

IR

Vibrations