Geometry & MOs

Info

ID:	375337
PubChem CID:	131500006
Reduced:	ON2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	201.100108
ΔH_f, kcal/mol:	-13.28
Dipole, Da:	5.31
IP(EA), eV:	-9.59(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-acetyl-3-hydroxypyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)CC#N)C(C1)(CO)N

DOS

IR

Vibrations