Geometry & MOs

Info

ID:	276627
PubChem CID:	103824525
Reduced:	BrClNOSC10H11 (1)
Stoich.:	ABCDEF10G11 (1)
Weight, g/mol:	312.9869
ΔH_f, kcal/mol:	-30.02
Dipole, Da:	4.73
IP(EA), eV:	-8.93(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-chlorophenyl)cyclohex-3-ene-1-carboxamide

Drug info:

PubChemData

Smile

CSCCC(=O)NC1=CC(=C(C=C1)Br)Cl

DOS

IR

Vibrations