Geometry & MOs

Info

ID:	189740
PubChem CID:	77898366
Reduced:	NO2C9H14 (2)
Stoich.:	AB2C9D14 (2)
Weight, g/mol:	341.137556
ΔH_f, kcal/mol:	-161.13
Dipole, Da:	6.37
IP(EA), eV:	-8.79(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methoxyphenyl)-1-(2-pyrazin-2-ylacetyl)pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)N2CC(C(C2)CO)CN(C)CCO)OC

DOS

IR

Vibrations