Geometry & MOs

Info

ID:	346039
PubChem CID:	127270527
Reduced:	ON2C11H17 (2)
Stoich.:	AB2C11D17 (2)
Weight, g/mol:	374.243024
ΔH_f, kcal/mol:	-93.84
Dipole, Da:	2.08
IP(EA), eV:	-8.21(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-cyclohexylacetyl)amino]ethyl]-4-pyridazin-3-ylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)NCCNC(=O)N2CCCN(CC2)C3=CC=CC=C3

DOS

IR

Vibrations