Geometry & MOs

Info

ID:	416034
PubChem CID:	135089039
Reduced:	O2N3C21H27 (1)
Stoich.:	A2B3C21D27 (1)
Weight, g/mol:	319.189592
ΔH_f, kcal/mol:	-55.83
Dipole, Da:	5.82
IP(EA), eV:	-8.37(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-7-carbonyl]-6-methyl-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC(C)CNC1=CC=CC=C1C(=O)N2C[C@H]([C@@H](C2)O)CC3=CC=CC=N3

DOS

IR

Vibrations