Geometry & MOs

Info

ID:	13246
PubChem CID:	224113
Reduced:	BrNOH16C17 (1)
Stoich.:	ABCD16E17 (1)
Weight, g/mol:	329.04153
ΔH_f, kcal/mol:	7.06
Dipole, Da:	2.56
IP(EA), eV:	-8.34(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-(butylamino)fluoren-9-one

Drug info:

PubChemData

Smile

CCCCNC1=C(C=C2C3=CC=CC=C3C(=O)C2=C1)Br

DOS

IR

Vibrations