Geometry & MOs

Info

ID:	304067
PubChem CID:	124492074
Reduced:	N2O2C13H26 (1)
Stoich.:	A2B2C13D26 (1)
Weight, g/mol:	242.199428
ΔH_f, kcal/mol:	-116.5
Dipole, Da:	2.59
IP(EA), eV:	-8.67(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,3R)-2-(aminomethyl)-4-methyl-3-pyrrolidin-1-ylpentanoate

Drug info:

PubChemData

Smile

CC[C@@](C)([C@H](CN)C(=O)OCC)N1CCCC1

DOS

IR

Vibrations