Geometry & MOs

Info

ID:	355363
PubChem CID:	127288359
Reduced:	OS2N6C13H16 (1)
Stoich.:	AB2C6D13E16 (1)
Weight, g/mol:	345.216475
ΔH_f, kcal/mol:	72.33
Dipole, Da:	5.51
IP(EA), eV:	-8.84(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-N-[2-oxo-2-(4-pyridazin-3-yl-1,4-diazepan-1-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)CSC2=NN=CS2)C3=NN=CC=C3

DOS

IR

Vibrations