Geometry & MOs

Info

ID:	288883
PubChem CID:	104327714
Reduced:	FN2O3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	287.052861
ΔH_f, kcal/mol:	-158.95
Dipole, Da:	4.45
IP(EA), eV:	-9.1(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-(8lambda4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C(=O)N2CCN(CC2)CC(=O)OC

DOS

IR

Vibrations