Geometry & MOs

Info

ID:	355361
PubChem CID:	127288357
Reduced:	O3N4C14H20 (1)
Stoich.:	A3B4C14D20 (1)
Weight, g/mol:	345.216475
ΔH_f, kcal/mol:	-66.68
Dipole, Da:	7.9
IP(EA), eV:	-8.82(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-pyridazin-3-yl-1,4-diazepane-1-carbonyl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2COCCO2)C3=NN=CC=C3

DOS

IR

Vibrations