Geometry & MOs

Info

ID:	329309
PubChem CID:	126734478
Reduced:	OS2N6C18H26 (1)
Stoich.:	AB2C6D18E26 (1)
Weight, g/mol:	435.160807
ΔH_f, kcal/mol:	12.79
Dipole, Da:	0.94
IP(EA), eV:	-8.03(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol

Drug info:

PubChemData

Smile

CC(C)C(CO)NC1=NC(=NC2=C1SCC2)N3CCN(CC3)C4=NC=CS4

DOS

IR

Vibrations