Geometry & MOs

Info

ID:	329845
PubChem CID:	127246712
Reduced:	ON5C18H25 (1)
Stoich.:	AB5C18D25 (1)
Weight, g/mol:	301.124883
ΔH_f, kcal/mol:	4.85
Dipole, Da:	7.76
IP(EA), eV:	-8.56(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=NN1)C(=O)N2CCCC2C3=CC(=NC=C3)NC

DOS

IR

Vibrations