Geometry & MOs

Info

ID:	279198
PubChem CID:	103841998
Reduced:	BrClNOSC13H15 (1)
Stoich.:	ABCDEF13G15 (1)
Weight, g/mol:	300.9869
ΔH_f, kcal/mol:	-34.7
Dipole, Da:	1.56
IP(EA), eV:	-8.68(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-chloro-N-[(E)-pent-3-enyl]benzamide

Drug info:

PubChemData

Smile

C1CSCCC1CNC(=O)C2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations