Geometry & MOs

Info

ID:	366269
PubChem CID:	127319726
Reduced:	ON3C8H8 (2)
Stoich.:	AB3C8D8 (2)
Weight, g/mol:	380.097683
ΔH_f, kcal/mol:	24.63
Dipole, Da:	8.89
IP(EA), eV:	-9.28(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone

Drug info:

PubChemData

Smile

C1CN2C=CN=C2CN1C(=O)CCN3C(=O)C4=CC=CC=C4N=N3

DOS

IR

Vibrations