Geometry & MOs

Info

ID:	416277
PubChem CID:	135089289
Reduced:	O2N4C17H26 (1)
Stoich.:	A2B4C17D26 (1)
Weight, g/mol:	352.15537
ΔH_f, kcal/mol:	-100.58
Dipole, Da:	5.47
IP(EA), eV:	-8.66(-0.18)
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]-2-(2-chlorophenoxy)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1C)NCCC(=O)NC2CCCCC2)C(=O)N

DOS

IR

Vibrations