Geometry & MOs

Info

ID:	418684
PubChem CID:	135106547
Reduced:	ON7C17H21 (1)
Stoich.:	AB7C17D21 (1)
Weight, g/mol:	336.187149
ΔH_f, kcal/mol:	62.17
Dipole, Da:	5.29
IP(EA), eV:	-8.85(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-4-thiophen-2-ylbutan-1-one

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)N2CCOCC2)NCC3=NN=C4N3C=CC=C4

DOS

IR

Vibrations