Geometry & MOs

Info

ID:	436762
PubChem CID:	135211238
Reduced:	O3C13H14 (2)
Stoich.:	A3B13C14 (2)
Weight, g/mol:	414.278347
ΔH_f, kcal/mol:	-197.96
Dipole, Da:	4.13
IP(EA), eV:	-9.05(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6,6-dimethyl-9-(4-propan-2-ylpiperazin-1-yl)-5,11-dihydrobenzo[b]carbazol-3-yl]-N-methylmethanimine

Drug info:

PubChemData

Smile

CO[C@H](CO)[C@@H](COC1=CC2=C(C=C1)C(=O)C3=C(C24CCCCC4)OC5=CC=CC=C53)O

DOS

IR

Vibrations