Geometry & MOs

Info

ID:	329992
PubChem CID:	127246979
Reduced:	OSN4C15H18 (1)
Stoich.:	ABC4D15E18 (1)
Weight, g/mol:	302.120132
ΔH_f, kcal/mol:	21.88
Dipole, Da:	1.87
IP(EA), eV:	-8.82(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(=O)N2CCCC2C3=CN=CC(=N3)NC

DOS

IR

Vibrations