Geometry & MOs

Info

ID:	330007
PubChem CID:	127246994
Reduced:	O2N4C17H26 (1)
Stoich.:	A2B4C17D26 (1)
Weight, g/mol:	302.120132
ΔH_f, kcal/mol:	-81.85
Dipole, Da:	6.2
IP(EA), eV:	-8.88(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone

Drug info:

PubChemData

Smile

CNC1=NC(=CN=C1)C2CCCN2C(=O)CC3(CCCCC3)O

DOS

IR

Vibrations