Geometry & MOs

Info

ID:	341800
PubChem CID:	127264493
Reduced:	FN3O3C18H22 (1)
Stoich.:	AB3C3D18E22 (1)
Weight, g/mol:	529.11248
ΔH_f, kcal/mol:	-119.49
Dipole, Da:	6.02
IP(EA), eV:	-8.23(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2-bromophenyl)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbohydrazide

Drug info:

PubChemData

Smile

CC1COC2=C3N1CC(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C=O

DOS

IR

Vibrations