Geometry & MOs

Info

ID:	355336
PubChem CID:	127288313
Reduced:	ON7C17H21 (1)
Stoich.:	AB7C17D21 (1)
Weight, g/mol:	317.221561
ΔH_f, kcal/mol:	79.4
Dipole, Da:	4.96
IP(EA), eV:	-8.64(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-piperidin-1-yl-3-(4-pyridazin-3-yl-1,4-diazepan-1-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C2=NN=CC=C2)CCN3C(=O)N4C=CC=CC4=N3

DOS

IR

Vibrations