Geometry & MOs

Info

ID:	345449
PubChem CID:	127269749
Reduced:	ON8C16H18 (1)
Stoich.:	AB8C16D18 (1)
Weight, g/mol:	341.221561
ΔH_f, kcal/mol:	87.14
Dipole, Da:	6.94
IP(EA), eV:	-9.08(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-adamantyl)-4-pyridazin-3-ylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NN=CC=C2)C(=O)NCC3=NN=C4N3C=CC=C4

DOS

IR

Vibrations