Geometry & MOs

Info

ID:	306356
PubChem CID:	125003895
Reduced:	N2O2C31H36 (1)
Stoich.:	A2B2C31D36 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	-43.49
Dipole, Da:	3.43
IP(EA), eV:	-9.16(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[(3S)-3-[6-methyl-4-(methylamino)pyridin-2-yl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC2=NC(=CC=C2)[C@H]3CCCN(C3)C(=O)C4(CCOCC4)CC5=CC=CC=C5

DOS

IR

Vibrations