Geometry & MOs

Info

ID:	216314
PubChem CID:	85086038
Reduced:	SO2N3C11H15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	253.204179
ΔH_f, kcal/mol:	-64.13
Dipole, Da:	3.27
IP(EA), eV:	-8.79(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-3-hydroxy-2-methyl-1-pyrrolidin-1-ylhex-4-en-1-one

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=CC(=C1)N)NC(=O)C(CS)N

DOS

IR

Vibrations