Geometry & MOs

Info

ID:	201912
PubChem CID:	79603799
Reduced:	OSN2C16H26 (1)
Stoich.:	ABC2D16E26 (1)
Weight, g/mol:	257.98109
ΔH_f, kcal/mol:	-48.29
Dipole, Da:	2.56
IP(EA), eV:	-8.18(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-2-(5-chloropent-2-enyl)benzene

Drug info:

PubChemData

Smile

CCCNC(C)C1=C(C=C(C=C1)N2CCCSCC2)O

DOS

IR

Vibrations