Geometry & MOs

Info

ID:	88599
PubChem CID:	49955652
Reduced:	OCl2N6C18H22 (1)
Stoich.:	AB2C6D18E22 (1)
Weight, g/mol:	334.120996
ΔH_f, kcal/mol:	107.33
Dipole, Da:	7.16
IP(EA), eV:	-8.94(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[5-[(cyclohexylamino)methyl]furan-2-yl]benzoic acid;chloride

Drug info:

PubChemData

Smile

CN(C)CCNCC1=CC(=CC=C1)OC2=NN=NN2C3=CC=CC=C3.[Cl-].[Cl-]

DOS

IR

Vibrations