Geometry & MOs

Info

ID:	355347
PubChem CID:	127288324
Reduced:	ON6C14H20 (1)
Stoich.:	AB6C14D20 (1)
Weight, g/mol:	346.157581
ΔH_f, kcal/mol:	50.37
Dipole, Da:	2.91
IP(EA), eV:	-8.69(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCN(CC2)CC3=NN=C(O3)C

DOS

IR

Vibrations