Geometry & MOs

Info

ID:	422284
PubChem CID:	135117556
Reduced:	O2N4C15H26 (1)
Stoich.:	A2B4C15D26 (1)
Weight, g/mol:	311.130363
ΔH_f, kcal/mol:	-77.94
Dipole, Da:	2.06
IP(EA), eV:	-9.08(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-7-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid

Drug info:

PubChemData

Smile

CCCN1C=CN=C1CNC(=O)C(CC)N2CCOCC2

DOS

IR

Vibrations