Geometry & MOs

Info

ID:	306432
PubChem CID:	125011682
Reduced:	O2N5C17H25 (1)
Stoich.:	A2B5C17D25 (1)
Weight, g/mol:	324.147393
ΔH_f, kcal/mol:	-45.1
Dipole, Da:	6.81
IP(EA), eV:	-8.76(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]pyridin-2-yl]benzoic acid

Drug info:

PubChemData

Smile

CCCN1C(=C(C(=N1)C)C(=O)N2CCOC[C@H]2C3=NC=C(N3)C)C

DOS

IR

Vibrations