Geometry & MOs

Info

ID:	289756
PubChem CID:	104372866
Reduced:	BrNSH10C11 (1)
Stoich.:	ABCD10E11 (1)
Weight, g/mol:	258.021435
ΔH_f, kcal/mol:	70.76
Dipole, Da:	2.84
IP(EA), eV:	-9.24(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dichlorophenyl)-2-ethylcyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1CC1(C#N)SC2=CC=CC=C2Br

DOS

IR

Vibrations