Geometry & MOs

Info

ID:	329971
PubChem CID:	127246958
Reduced:	OSN4C16H18 (1)
Stoich.:	ABC4D16E18 (1)
Weight, g/mol:	316.135782
ΔH_f, kcal/mol:	42.14
Dipole, Da:	2.9
IP(EA), eV:	-8.74(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-thiophen-2-ylpropan-1-one

Drug info:

PubChemData

Smile

CNC1=NC(=CN=C1)C2CCCN2C(=O)/C=C/C3=CC=CS3

DOS

IR

Vibrations