Geometry & MOs

Info

ID:	355278
PubChem CID:	127288210
Reduced:	ON6C18H26 (1)
Stoich.:	AB6C18D26 (1)
Weight, g/mol:	331.157915
ΔH_f, kcal/mol:	43.86
Dipole, Da:	2.15
IP(EA), eV:	-8.7(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CN2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4

DOS

IR

Vibrations