Geometry & MOs

Info

ID:	307321
PubChem CID:	125299581
Reduced:	N3O3H13C16 (1)
Stoich.:	A3B3C13D16 (1)
Weight, g/mol:	419.128134
ΔH_f, kcal/mol:	-41.58
Dipole, Da:	2.97
IP(EA), eV:	-9.64(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,6S,7S)-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

CC1=CC=CC=C1N2C(=O)/C(=C\C3=NC=CC3)/C(=O)NC2=O

DOS

IR

Vibrations