Geometry & MOs

Info

ID:	360243
PubChem CID:	127300886
Reduced:	O2N6C21H28 (1)
Stoich.:	A2B6C21D28 (1)
Weight, g/mol:	372.173231
ΔH_f, kcal/mol:	33.32
Dipole, Da:	5.65
IP(EA), eV:	-9.1(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CN2CCCN(CC2)C(=O)C3=CC4=C(N=C3)ON=C4C(C)C

DOS

IR

Vibrations