Geometry & MOs

Info

ID:	420293
PubChem CID:	135112280
Reduced:	O2N4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	-36.61
Dipole, Da:	3.44
IP(EA), eV:	-8.64(-0.05)
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-pyridin-4-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)C(=O)C2=CC(=CC=C2)OC

DOS

IR

Vibrations