Geometry & MOs

Info

ID:	360224
PubChem CID:	127300867
Reduced:	ON3C10H13 (2)
Stoich.:	AB3C10D13 (2)
Weight, g/mol:	358.157581
ΔH_f, kcal/mol:	39.34
Dipole, Da:	7.34
IP(EA), eV:	-8.97(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)C1=NOC2=C1C=C(C=N2)C(=O)N3CCCN(CC3)CC4=CN(N=C4)C

DOS

IR

Vibrations