Geometry & MOs

Info

ID:	355348
PubChem CID:	127288325
Reduced:	OSN6C16H22 (1)
Stoich.:	ABC6D16E22 (1)
Weight, g/mol:	331.237211
ΔH_f, kcal/mol:	28.67
Dipole, Da:	4.6
IP(EA), eV:	-8.66(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-1-piperidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCN(CC2)CC(=O)NC3=NC(=CS3)C

DOS

IR

Vibrations