Geometry & MOs

Info

ID:	436764
PubChem CID:	135211261
Reduced:	BrNOC21H22 (1)
Stoich.:	ABCD21E22 (1)
Weight, g/mol:	438.05791
ΔH_f, kcal/mol:	10.48
Dipole, Da:	1.61
IP(EA), eV:	-8.33(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-bromo-8-methoxy-11-oxospiro[7,8-dihydro-5H-benzo[b]carbazole-6,4'-oxane]-3-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC2=C(CC3=C(C24CCCC4)NC5C3C=CC(=C5)Br)C=C1

DOS

IR

Vibrations