Geometry & MOs

Info

ID:	329872
PubChem CID:	127246739
Reduced:	ClO2N3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	301.124883
ΔH_f, kcal/mol:	-36.1
Dipole, Da:	3.82
IP(EA), eV:	-8.77(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(methylamino)pyridin-4-yl]pyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)C2CCCN2C(=O)COC3=CC=CC=C3Cl

DOS

IR

Vibrations