Geometry & MOs

Info

ID:	330062
PubChem CID:	127247049
Reduced:	N7C19H27 (1)
Stoich.:	A7B19C27 (1)
Weight, g/mol:	331.146681
ΔH_f, kcal/mol:	76.77
Dipole, Da:	3.74
IP(EA), eV:	-8.57(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CN(C)C1=NC(=CN=C1)C2CCCN2CC3=NC(=NC=C3)N4CCCC4

DOS

IR

Vibrations