Geometry & MOs

Info

ID:	25489
PubChem CID:	625692
Reduced:	ClNH12C19 (1)
Stoich.:	ABC12D19 (1)
Weight, g/mol:	392.252252
ΔH_f, kcal/mol:	89.5
Dipole, Da:	3.17
IP(EA), eV:	-8.74(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,7,13,16,22-pentaoxa-1,10-diazabicyclo[8.8.7]pentacosane-20,24-diol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC3=CC4=C(C(=CC=C4)Cl)N=C32

DOS

IR

Vibrations