Geometry & MOs

Info

ID:	182080
PubChem CID:	76839295
Reduced:	VN2F3O3H34C35 (1)
Stoich.:	AB2C3D3E34F35 (1)
Weight, g/mol:	435.22297
ΔH_f, kcal/mol:	-67.58
Dipole, Da:	50.52
IP(EA), eV:	-6.18(-3.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-1-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]prop-2-enoyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C=NC2=CC(=CC(=C2O)CCCCCCC3=C4C(=CC=C3)[N+](=CC5=CC=C(C=C5)C(F)(F)F)OO4)C.[V]

DOS

IR

Vibrations