Geometry & MOs

Info

ID:	421102
PubChem CID:	135115384
Reduced:	ClON3C19H24 (1)
Stoich.:	ABC3D19E24 (1)
Weight, g/mol:	372.168522
ΔH_f, kcal/mol:	-13.48
Dipole, Da:	3.13
IP(EA), eV:	-8.52(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]propoxy]benzoic acid

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C3=NC4=C(C=C3)C=C(C=C4)Cl)CO

DOS

IR

Vibrations