Geometry & MOs

Info

ID:	305385
PubChem CID:	124807070
Reduced:	FO2N4H17C18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	222.104465
ΔH_f, kcal/mol:	-48.71
Dipole, Da:	5.76
IP(EA), eV:	-9.97(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R,7S,10S)-9-phenyltricyclo[5.2.1.04,10]deca-5,8-dien-2-one

Drug info:

PubChemData

Smile

C1[C@@H]2CN(C(=O)[C@@H]2CN1C(=O)C3=CN=NC=C3)CC4=CC(=CC=C4)F

DOS

IR

Vibrations