Geometry & MOs

Info

ID:	357638
PubChem CID:	127294311
Reduced:	F3N8C15H17 (1)
Stoich.:	A3B8C15D17 (1)
Weight, g/mol:	354.162666
ΔH_f, kcal/mol:	-23.57
Dipole, Da:	10.5
IP(EA), eV:	-9.4(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-4-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CCN1C=NN=C1C2CCCN(C2)C3=NN4C(=NN=C4C(F)(F)F)C=C3

DOS

IR

Vibrations