Geometry & MOs

Info

ID:	306267
PubChem CID:	125003394
Reduced:	O2N5H17C18 (1)
Stoich.:	A2B5C17D18 (1)
Weight, g/mol:	282.136828
ΔH_f, kcal/mol:	37.28
Dipole, Da:	7.18
IP(EA), eV:	-9.14(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-yl]benzoic acid

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)[C@@H]2CN3C=CN=C3CN2C(=O)C4=NC=CN=C4

DOS

IR

Vibrations