Geometry & MOs

Info

ID:	201907
PubChem CID:	79602748
Reduced:	BrNSC15H24 (1)
Stoich.:	ABCD15E24 (1)
Weight, g/mol:	232.04628
ΔH_f, kcal/mol:	-9.98
Dipole, Da:	1.74
IP(EA), eV:	-9.15(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-bromopent-2-enyl)oxane

Drug info:

PubChemData

Smile

CC(C)(C)C1CCC(CC1)C(C2=CSC=C2Br)N

DOS

IR

Vibrations