Geometry & MOs

Info

ID:	420296
PubChem CID:	135112294
Reduced:	ClN3O3C16H22 (1)
Stoich.:	AB3C3D16E22 (1)
Weight, g/mol:	386.231791
ΔH_f, kcal/mol:	-122.88
Dipole, Da:	4.64
IP(EA), eV:	-9.15(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3=CC(=CN3C)Cl)C(=O)O

DOS

IR

Vibrations