Geometry & MOs

Info

ID:	302903
PubChem CID:	124403631
Reduced:	NOC9H9 (3)
Stoich.:	ABC9D9 (3)
Weight, g/mol:	469.15904
ΔH_f, kcal/mol:	7.34
Dipole, Da:	5.76
IP(EA), eV:	-8.38(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3aR)-1-benzoyl-2-(2-fluorophenyl)-2,3a-dihydro-1H-naphtho[1,2-e]indolizine-3,3-dicarbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)[C@H]1[C@H](C([C@@H]2N1C3=CC=CC=C3C=C2)(C#N)C#N)C4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations