Geometry & MOs

Info

ID:	307319
PubChem CID:	125299577
Reduced:	NOC10H11 (2)
Stoich.:	ABC10D11 (2)
Weight, g/mol:	419.128134
ΔH_f, kcal/mol:	-20.88
Dipole, Da:	3.25
IP(EA), eV:	-8.83(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,6S,7R)-7-(4-fluorobenzoyl)-4-(4-methoxyphenyl)-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-3,5-dione

Drug info:

PubChemData

Smile

C1C(=C2C=CC=CC2=N1)CCCC(=O)NCCC3=CC=C(C=C3)O

DOS

IR

Vibrations