Geometry & MOs

Info

ID:	426008
PubChem CID:	135134773
Reduced:	ClON7H18C19 (1)
Stoich.:	ABC7D18E19 (1)
Weight, g/mol:	395.162521
ΔH_f, kcal/mol:	132.87
Dipole, Da:	3.86
IP(EA), eV:	-8.48(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[9-(2-chlorophenyl)-6-methyl-2,4,5,8,12-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),2,6,8,10,12-hexaen-13-yl]-N',N'-dimethylethane-1,2-diamine

Drug info:

PubChemData

Smile

CC1=C2C(=NC3=CC(=NC=C3C(=N2)C4=C(C=NC=C4)Cl)N5CCOCC5)NN1

DOS

IR

Vibrations