Geometry & MOs

Info

ID:	406044
PubChem CID:	135076335
Reduced:	IO2Si2C32H49 (1)
Stoich.:	AB2C2D32E49 (1)
Weight, g/mol:	337.06774
ΔH_f, kcal/mol:	-150.64
Dipole, Da:	2.91
IP(EA), eV:	-8.91(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E)-2-[1-(2-bromo-4,5-dimethylphenyl)pyrrolidin-2-ylidene]acetate

Drug info:

PubChemData

Smile

CC=C(CC[C@@H](/C=C\I)O[Si](C)(C)C(C)(C)C)CCO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C

DOS

IR

Vibrations