Geometry & MOs

Info

ID:	320475
PubChem CID:	126661317
Reduced:	FN2O3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	366.137971
ΔH_f, kcal/mol:	-74.53
Dipole, Da:	7.08
IP(EA), eV:	-9.84(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-9-methyl-4-(4-nitrophenyl)-12-azatricyclo[8.4.1.03,8]pentadeca-3,5,7,9-tetraen-11-one

Drug info:

PubChemData

Smile

CCCNC(=O)/C(=C(\C)/C1=CC(=CC(=C1C)C2=CC=C(C=C2)[N+](=O)[O-])F)/C

DOS

IR

Vibrations