Geometry & MOs

Info

ID:	16481
PubChem CID:	470667
Reduced:	ClON4H21C22 (1)
Stoich.:	ABC4D21E22 (1)
Weight, g/mol:	392.140389
ΔH_f, kcal/mol:	41.83
Dipole, Da:	1.9
IP(EA), eV:	-8.79(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-ethyl-9-methyl-13-(2-phenylethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one

Drug info:

PubChemData

Smile

CCN1C2=C(C=CC(=N2)Cl)N(C(=O)C3=C1N=CC(=C3)CCC4=CC=CC=C4)C

DOS

IR

Vibrations