Geometry & MOs

Info

ID:	344646
PubChem CID:	127268231
Reduced:	ON5C22H29 (1)
Stoich.:	AB5C22D29 (1)
Weight, g/mol:	295.14331
ΔH_f, kcal/mol:	8.87
Dipole, Da:	6.15
IP(EA), eV:	-8.79(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-pyridazin-3-ylpiperazin-1-yl)methyl]-1,3-benzoxazole

Drug info:

PubChemData

Smile

CC(C1=CC2=C(CCCC2)C=C1)NC(=O)CN3CCN(CC3)C4=NN=CC=C4

DOS

IR

Vibrations