Geometry & MOs

Info

ID:	426015
PubChem CID:	135134888
Reduced:	ClON6C21H21 (1)
Stoich.:	ABC6D21E21 (1)
Weight, g/mol:	323.093773
ΔH_f, kcal/mol:	74.37
Dipole, Da:	3.57
IP(EA), eV:	-8.24(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(2-chlorophenyl)-6,12-dimethyl-2,4,5,8,11-pentazatricyclo[8.4.0.03,7]tetradeca-1(10),2,6,8,11,13-hexaene

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCO1)C2=NC=C3C(=C2)N=C4C(=C(NN4)C)N=C3C5=CC=CC=C5Cl

DOS

IR

Vibrations