Geometry & MOs

Info

ID:	304197
PubChem CID:	124498579
Reduced:	ClN2O2C15H21 (1)
Stoich.:	AB2C2D15E21 (1)
Weight, g/mol:	224.071641
ΔH_f, kcal/mol:	-103.5
Dipole, Da:	2.41
IP(EA), eV:	-9.49(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(6-chloro-4-methylpyridin-3-yl)pyrrolidine-1-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1Cl)[C@H]2CCCN2C(=O)OC(C)(C)C

DOS

IR

Vibrations