Geometry & MOs

Info

ID:	344652
PubChem CID:	127268240
Reduced:	ON5C16H25 (1)
Stoich.:	AB5C16D25 (1)
Weight, g/mol:	355.237211
ΔH_f, kcal/mol:	-8.4
Dipole, Da:	6.41
IP(EA), eV:	-8.81(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantyl)-2-(4-pyridazin-3-ylpiperazin-1-yl)acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CN2CCN(CC2)C3=NN=CC=C3

DOS

IR

Vibrations