Geometry & MOs

Info

ID:	344650
PubChem CID:	127268235
Reduced:	ON5C20H31 (1)
Stoich.:	AB5C20D31 (1)
Weight, g/mol:	369.252861
ΔH_f, kcal/mol:	-9.24
Dipole, Da:	2.48
IP(EA), eV:	-8.74(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1CC2CCC1C2)NC(=O)C(C)N3CCN(CC3)C4=NN=CC=C4

DOS

IR

Vibrations