Geometry & MOs

Info

ID:	383046
PubChem CID:	134974544
Reduced:	ON2H16C17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	215.098
ΔH_f, kcal/mol:	7.84
Dipole, Da:	3.88
IP(EA), eV:	-8.67(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-4-methylsulfanyl-3-pyrrolidin-1-ylbut-2-enoate

Drug info:

PubChemData

Smile

CC1CCC2=C(C1=O)C=C3C4=CC=CC=C4N(C3=N2)C

DOS

IR

Vibrations