Geometry & MOs

Info

ID:	355360
PubChem CID:	127288356
Reduced:	ON2C9H14 (2)
Stoich.:	AB2C9D14 (2)
Weight, g/mol:	292.153541
ΔH_f, kcal/mol:	-85.15
Dipole, Da:	3.71
IP(EA), eV:	-8.43(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dioxan-2-yl-(4-pyridazin-3-yl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CCN1CCCC(C1)NC(=O)C(C(C)C)NC(=O)C2=CC=CC=N2

DOS

IR

Vibrations