Geometry & MOs

Info

ID:	236095
PubChem CID:	92711514
Reduced:	FO3N4C23H27 (1)
Stoich.:	AB3C4D23E27 (1)
Weight, g/mol:	486.203383
ΔH_f, kcal/mol:	-102.36
Dipole, Da:	4.8
IP(EA), eV:	-8.84(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[C-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]carbonimidoyl]amino]benzoic acid

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)CN=C(NC2=CC=C(C=C2)C(=O)O)N3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations