Geometry & MOs

Info

ID:	436769
PubChem CID:	135211289
Reduced:	BrN2O2C24H27 (1)
Stoich.:	AB2C2D24E27 (1)
Weight, g/mol:	442.08921
ΔH_f, kcal/mol:	15.71
Dipole, Da:	8.58
IP(EA), eV:	-7.71(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3-bromo-6,6-dimethyl-11-oxo-5,11b-dihydro-1H-benzo[b]carbazol-8-yl)oxy]ethyl]acetamide

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)OCC3CCNCC3)C(=O)C4=C1NC5=CC(=CCC54)Br)C

DOS

IR

Vibrations