Geometry & MOs

Info

ID:	217171
PubChem CID:	85087368
Reduced:	N3O4H17C18 (1)
Stoich.:	A3B4C17D18 (1)
Weight, g/mol:	343.169605
ΔH_f, kcal/mol:	-98.07
Dipole, Da:	4.29
IP(EA), eV:	-8.43(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-[1-(4-fluorophenyl)ethylamino]piperazin-2-ylidene]-2-methoxycyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC(C(=O)OC)OC(=O)C1=C(C2=CC=CC=C2N1)NC3=CC=NC=C3

DOS

IR

Vibrations