Geometry & MOs

Info

ID:	355330
PubChem CID:	127288307
Reduced:	ON5C17H27 (1)
Stoich.:	AB5C17D27 (1)
Weight, g/mol:	343.212058
ΔH_f, kcal/mol:	-8.68
Dipole, Da:	1.75
IP(EA), eV:	-8.56(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-pyridazin-3-yl-1,4-diazepan-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CN2CCCN(CC2)C3=NN=CC=C3

DOS

IR

Vibrations