Geometry & MOs

Info

ID:	330056
PubChem CID:	127247043
Reduced:	ON7C18H21 (1)
Stoich.:	AB7C18D21 (1)
Weight, g/mol:	328.135782
ΔH_f, kcal/mol:	88.38
Dipole, Da:	6.28
IP(EA), eV:	-8.7(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

CN(C)C1=NC(=CN=C1)C2CCCN2C(=O)CN3N=C4C=CC=CC4=N3

DOS

IR

Vibrations