Geometry & MOs

Info

ID:	289753
PubChem CID:	104372818
Reduced:	BrNH10C11 (1)
Stoich.:	ABC10D11 (1)
Weight, g/mol:	183.108171
ΔH_f, kcal/mol:	64.51
Dipole, Da:	4.38
IP(EA), eV:	-9.82(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butylsulfanyl-2-ethylcyclopropane-1-carbonitrile

Drug info:

PubChemData

Smile

CC1CC1(C#N)C2=CC=CC=C2Br

DOS

IR

Vibrations