Geometry & MOs

Info

ID:	16371
PubChem CID:	465959
Reduced:	OCl2N3H11C20 (1)
Stoich.:	AB2C3D11E20 (1)
Weight, g/mol:	379.027917
ΔH_f, kcal/mol:	32.55
Dipole, Da:	4.39
IP(EA), eV:	-8.32(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,21-dichloro-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaen-12-one

Drug info:

PubChemData

Smile

C1C2=C3C4=C(C(=CC=C4)Cl)NC3=C5C(=C2C(=O)N1)C6=C(N5)C(=CC=C6)Cl

DOS

IR

Vibrations