Geometry & MOs

Info

ID:	270839
PubChem CID:	103638382
Reduced:	NOSBr2H9C14 (1)
Stoich.:	ABCD2E9F14 (1)
Weight, g/mol:	254.141913
ΔH_f, kcal/mol:	53.27
Dipole, Da:	1.73
IP(EA), eV:	-9.34(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohepten-1-yl(quinoxalin-6-yl)methanol

Drug info:

PubChemData

Smile

C1=CC(=C2C=CC=NC2=C1)C(C3=C(SC(=C3)Br)Br)O

DOS

IR

Vibrations