Geometry & MOs

Info

ID:	380486
PubChem CID:	134970947
Reduced:	IO2Si2C22H34 (1)
Stoich.:	AB2C2D22E34 (1)
Weight, g/mol:	221.045486
ΔH_f, kcal/mol:	-140.64
Dipole, Da:	0.67
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.769334
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[1-(chloromethyl)cyclopropyl]-2-nitroacetate

Drug info:

PubChemData

Smile

C[Si](C)(C)OC(CC1=CC=CC=C1)[O+](C(CC2=CC=CC=C2)I)[Si](C)(C)C

DOS

IR

Vibrations