Geometry & MOs

Info

ID:	122300
PubChem CID:	50801574
Reduced:	ClON5H18C20 (1)
Stoich.:	ABC5D18E20 (1)
Weight, g/mol:	403.156373
ΔH_f, kcal/mol:	83.21
Dipole, Da:	6.37
IP(EA), eV:	-9.1(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[(4-chlorophenyl)methyl]-N-(3-ethylphenyl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine

Drug info:

PubChemData

Smile

C1CC2=C(N3C(=NC(=N3)CC4=CC=C(C=C4)Cl)N=C2C1)NCC5=CC=CO5

DOS

IR

Vibrations