Geometry & MOs

Info

ID:	344649
PubChem CID:	127268234
Reduced:	ON3C7H10 (2)
Stoich.:	AB3C7D10 (2)
Weight, g/mol:	357.252861
ΔH_f, kcal/mol:	-14.45
Dipole, Da:	5.3
IP(EA), eV:	-9.01(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(4-pyridazin-3-ylpiperazin-1-yl)propanamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)NC(=O)CN2CCN(CC2)C3=NN=CC=C3

DOS

IR

Vibrations