Geometry & MOs

Info

ID:	355343
PubChem CID:	127288320
Reduced:	N7C16H23 (1)
Stoich.:	A7B16C23 (1)
Weight, g/mol:	302.185509
ΔH_f, kcal/mol:	119.48
Dipole, Da:	7.35
IP(EA), eV:	-8.78(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-propan-2-yl-5-[(4-pyridazin-3-yl-1,4-diazepan-1-yl)methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CN1C(=NN=C1C2CC2)CN3CCCN(CC3)C4=NN=CC=C4

DOS

IR

Vibrations