Geometry & MOs

Info

ID:	181741
PubChem CID:	76787013
Reduced:	O3C14H24 (1)
Stoich.:	A3B14C24 (1)
Weight, g/mol:	630.310058
ΔH_f, kcal/mol:	-146.98
Dipole, Da:	3.66
IP(EA), eV:	-9.8(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-pyridin-4-ylhex-5-ene-1,4-dione

Drug info:

PubChemData

Smile

CC(C)OCC=CC(=O)CCC(=O)C(C)(C)C

DOS

IR

Vibrations