Geometry & MOs

Info

ID:	426018
PubChem CID:	135134898
Reduced:	ClON6C21H21 (1)
Stoich.:	ABC6D21E21 (1)
Weight, g/mol:	435.193822
ΔH_f, kcal/mol:	75.81
Dipole, Da:	3.3
IP(EA), eV:	-8.21(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(2-chlorophenyl)-6-methyl-13-(3,4,5-trimethylpiperazin-1-yl)-2,4,5,8,12-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),2,6,8,10,12-hexaene

Drug info:

PubChemData

Smile

C[C@H]1COCCN1C2=NC=C3C(=C2)N=C4C(=C(NN4)C)N=C3C5=CC=CC=C5Cl

DOS

IR

Vibrations