Geometry & MOs

Info

ID:	420984
PubChem CID:	135115159
Reduced:	ON4C17H24 (1)
Stoich.:	AB4C17D24 (1)
Weight, g/mol:	316.189926
ΔH_f, kcal/mol:	-0.8
Dipole, Da:	3.29
IP(EA), eV:	-8.66(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2CCCN(CC2)CCN3C=CNC3=O

DOS

IR

Vibrations