Geometry & MOs

Info

ID:	417335
PubChem CID:	135092298
Reduced:	ON4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	368.184841
ΔH_f, kcal/mol:	12.07
Dipole, Da:	3.16
IP(EA), eV:	-8.86(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-7-(2-methyl-5-phenylpyrazole-3-carbonyl)-1,2,3,4,5,6,8,8a-octahydro-1,7-naphthyridine-4a-carboxylic acid

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C3=NC=CC(=C3)C#N)CO

DOS

IR

Vibrations