Geometry & MOs

Info

ID:	329940
PubChem CID:	127246927
Reduced:	O2N4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	302.120132
ΔH_f, kcal/mol:	-11.78
Dipole, Da:	2.53
IP(EA), eV:	-8.99(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-thiophen-2-ylethanone

Drug info:

PubChemData

Smile

CNC1=NC(=CN=C1)C2CCCN2C(=O)COC3=CC=CC=C3

DOS

IR

Vibrations