Geometry & MOs

Info

ID:	23315
PubChem CID:	603055
Reduced:	ClON2H9C10 (2)
Stoich.:	ABC2D9E10 (2)
Weight, g/mol:	416.080681
ΔH_f, kcal/mol:	24.65
Dipole, Da:	8.89
IP(EA), eV:	-8.59(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,21-dichloro-3,6,14,17-tetrazatricyclo[17.3.1.18,12]tetracosa-1(22),2,6,8,10,12(24),13,17,19(23),20-decaene-23,24-diol

Drug info:

PubChemData

Smile

C1CN=CC2=CC(=CC(=C2O)C=NCCN=CC3=C(C(=CC(=C3)Cl)C=N1)O)Cl

DOS

IR

Vibrations