Geometry & MOs

Info

ID:	48160
PubChem CID:	10537597
Reduced:	NO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	233.141579
ΔH_f, kcal/mol:	-70.85
Dipole, Da:	3.74
IP(EA), eV:	-9.58(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,5R)-5-(2-methylphenyl)pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1(CC(=O)C2(C1)C(=C)CN(C2=O)CC=C)C

DOS

IR

Vibrations