Geometry & MOs

Info

ID:	379910
PubChem CID:	134964197
Reduced:	SiN2O3C10H23 (1)
Stoich.:	AB2C3D10E23 (1)
Weight, g/mol:	233.177964
ΔH_f, kcal/mol:	-201.23
Dipole, Da:	3.25
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755358
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,2Z)-3-methyl-2-[[(2R)-2-methylpyrrolidin-1-yl]methylidene]cyclopent-3-en-1-yl]propan-2-one

Drug info:

PubChemData

Smile

C[N+]1=CN(CC1)CCC[Si](OC)(OC)OC

DOS

IR

Vibrations