Geometry & MOs

Info

ID:	189759
PubChem CID:	77901740
Reduced:	O2N4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	353.162708
ΔH_f, kcal/mol:	-22.71
Dipole, Da:	4.97
IP(EA), eV:	-8.43(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethylbenzoyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1CC(NN1)C(=O)N(C)CC2=C3C=CC=NC3=C(C=C2)OC

DOS

IR

Vibrations