Geometry & MOs

Info

ID:	372439
PubChem CID:	131297628
Reduced:	ClNSBr2H8C11 (1)
Stoich.:	ABCD2E8F11 (1)
Weight, g/mol:	124.088815
ΔH_f, kcal/mol:	36.44
Dipole, Da:	2.27
IP(EA), eV:	-9.03(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,2-dimethylcyclopropyl)prop-2-enal

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)C2=C(C=CC(=C2)Br)Br)CCl

DOS

IR

Vibrations