Geometry & MOs

Info

ID:	147443
PubChem CID:	53787099
Reduced:	ON2C7H11 (2)
Stoich.:	AB2C7D11 (2)
Weight, g/mol:	368.211136
ΔH_f, kcal/mol:	-64.61
Dipole, Da:	4.48
IP(EA), eV:	-8.14(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-7-fluoro-8-[(3R)-3-hydroxypiperidin-1-yl]-9-methyl-4-oxo-1,2,3,6,7,8,9,9a-octahydroquinolizine-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C(=O)NC1=CC=C(C=C1)N=C(C)N(C)C)N)O

DOS

IR

Vibrations