Geometry & MOs

Info

ID:	207160
PubChem CID:	80354619
Reduced:	OSN3C13H21 (1)
Stoich.:	ABC3D13E21 (1)
Weight, g/mol:	227.152144
ΔH_f, kcal/mol:	-31.57
Dipole, Da:	8.8
IP(EA), eV:	-8.49(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-1-(oxan-4-yl)pyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CCNC(=O)C1=C(C=C(C=C1)N)SCCN(C)C

DOS

IR

Vibrations