Geometry & MOs

Info

ID:	414859
PubChem CID:	135087831
Reduced:	O5N6C23H32 (1)
Stoich.:	A5B6C23D32 (1)
Weight, g/mol:	344.246378
ΔH_f, kcal/mol:	-153.75
Dipole, Da:	5.35
IP(EA), eV:	-9.36(-0.25)
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]-3-methyl-3-phenylbutan-1-one

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCN(CC2=CN(CCCOC3=C(C=CC(=C3)C)C(=O)N1)N=N2)C(=O)COC

DOS

IR

Vibrations