Geometry & MOs

Info

ID:	416684
PubChem CID:	135090054
Reduced:	O2N3C20H27 (1)
Stoich.:	A2B3C20D27 (1)
Weight, g/mol:	366.161329
ΔH_f, kcal/mol:	-48.06
Dipole, Da:	2.48
IP(EA), eV:	-8.78(-0.78)
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]-(3-methylsulfonylphenyl)methanone

Drug info:

PubChemData

Smile

CN1CCN(CC1CCO)C(=O)C2=CC=C(C3=CC=CC=C32)N(C)C

DOS

IR

Vibrations