Geometry & MOs

Info

ID:	355344
PubChem CID:	127288321
Reduced:	ON6C15H22 (1)
Stoich.:	AB6C15D22 (1)
Weight, g/mol:	319.200825
ΔH_f, kcal/mol:	50.16
Dipole, Da:	5.88
IP(EA), eV:	-8.49(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxan-4-yl)-2-(4-pyridazin-3-yl-1,4-diazepan-1-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(O1)CN2CCCN(CC2)C3=NN=CC=C3

DOS

IR

Vibrations