Geometry & MOs

Info

ID:	416589
PubChem CID:	135089737
Reduced:	SO3N5C17H17 (1)
Stoich.:	AB3C5D17E17 (1)
Weight, g/mol:	304.189926
ΔH_f, kcal/mol:	-37.45
Dipole, Da:	4.75
IP(EA), eV:	-9.02(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1C(CN2C(=CC(=N2)C(=O)NCCC3=NC4=CC=CC=C4S3)C(=O)N1)O

DOS

IR

Vibrations