Geometry & MOs

Info

ID:	419686
PubChem CID:	135108701
Reduced:	O2N4C15H18 (2)
Stoich.:	A2B4C15D18 (2)
Weight, g/mol:	289.179027
ΔH_f, kcal/mol:	-66.52
Dipole, Da:	3.01
IP(EA), eV:	-9.03(-0.21)
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]-pyridin-4-ylmethanone

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)CCC4=NC5=CC=CC=C5N4

DOS

IR

Vibrations