Geometry & MOs

Info

ID:	411032
PubChem CID:	135083841
Reduced:	NSO5C9H9 (1)
Stoich.:	ABC5D9E9 (1)
Weight, g/mol:	234.02554
ΔH_f, kcal/mol:	-135.83
Dipole, Da:	5.97
IP(EA), eV:	-9.18(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromohept-1-en-3-yl acetate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)/C(=N/O)/CS(=O)(=O)O2

DOS

IR

Vibrations