Geometry & MOs

Info

ID:	355368
PubChem CID:	127288364
Reduced:	ON3C8H10 (2)
Stoich.:	AB3C8D10 (2)
Weight, g/mol:	304.11063
ΔH_f, kcal/mol:	-5.67
Dipole, Da:	5.09
IP(EA), eV:	-8.85(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-(thiadiazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCN(CC2)C(=O)CN3C=CC=NC3=O

DOS

IR

Vibrations