Geometry & MOs

Info

ID:	329874
PubChem CID:	127246741
Reduced:	ON5C19H27 (1)
Stoich.:	AB5C19D27 (1)
Weight, g/mol:	287.109233
ΔH_f, kcal/mol:	1.64
Dipole, Da:	3.14
IP(EA), eV:	-8.67(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(methylamino)pyridin-4-yl]pyrrolidin-1-yl]-thiophen-3-ylmethanone

Drug info:

PubChemData

Smile

CCN1C(=CC(=N1)C(C)C)C(=O)N2CCCC2C3=CC(=NC=C3)NC

DOS

IR

Vibrations