Geometry & MOs

Info

ID:	419092
PubChem CID:	135107462
Reduced:	NO2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	345.14887
ΔH_f, kcal/mol:	-163.24
Dipole, Da:	8.12
IP(EA), eV:	-8.95(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[C@@]1(CN(CC[C@H]1O)C2=NC=C(C=C2)C(=O)C)C(=O)O

DOS

IR

Vibrations