Geometry & MOs

Info

ID:	147717
PubChem CID:	53787374
Reduced:	BrOSN2H13C15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	299.01571
ΔH_f, kcal/mol:	32.55
Dipole, Da:	3.47
IP(EA), eV:	-8.6(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-1-(4-nitrophenyl)hexan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1N=C(S2)C3=CC=CC=N3)OCCBr

DOS

IR

Vibrations