Geometry & MOs

Info

ID:	313170
PubChem CID:	126612361
Reduced:	N3C19H19 (1)
Stoich.:	A3B19C19 (1)
Weight, g/mol:	601.258357
ΔH_f, kcal/mol:	54.51
Dipole, Da:	2.4
IP(EA), eV:	-8.27(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-morpholin-4-yl-N-[1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidin-3-yl]-2H-thieno[2,3-c]pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(CC(N2)CC3=CC4=C(C=C3)C=CN=C4N)C=C1

DOS

IR

Vibrations