Geometry & MOs

Info

ID:	193718
PubChem CID:	78429161
Reduced:	N2O3C14H18 (1)
Stoich.:	A2B3C14D18 (1)
Weight, g/mol:	302.166865
ΔH_f, kcal/mol:	-87.72
Dipole, Da:	14.73
IP(EA), eV:	-9.37(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[3-(3-fluorophenyl)-4,5-diaza-1-azoniatricyclo[5.2.2.02,6]undec-5-en-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C[NH+]2CCNC(=O)C2CC(=O)[O-]

DOS

IR

Vibrations