Geometry & MOs

Info

ID:	305211
PubChem CID:	124767575
Reduced:	NF3O6C13H16 (1)
Stoich.:	AB3C6D13E16 (1)
Weight, g/mol:	387.163457
ΔH_f, kcal/mol:	-406.98
Dipole, Da:	3.24
IP(EA), eV:	-9.25(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,7R,13S,17R)-2-(2-fluorophenyl)-1-azapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-5,8,10,12(19),14-pentaene-10-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N[C@@H]2[C@@H]([C@H]([C@H]([C@@H](O2)CO)O)O)O)OC(F)(F)F

DOS

IR

Vibrations