Geometry & MOs

Info

ID:	436768
PubChem CID:	135211287
Reduced:	ON2C15H17 (2)
Stoich.:	AB2C15D17 (2)
Weight, g/mol:	454.12559
ΔH_f, kcal/mol:	34.06
Dipole, Da:	3.91
IP(EA), eV:	-8.63(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-6,6-dimethyl-8-(piperidin-4-ylmethoxy)-5,11b-dihydro-1H-benzo[b]carbazol-11-one

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C(=C2)N3CCN(CC3)C4COC4)C5CC5)C(=O)C6=C1NC7=C6C=CC(=C7)C=NC)C

DOS

IR

Vibrations