Geometry & MOs

Info

ID:	71503
PubChem CID:	48414968
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	367.189592
ΔH_f, kcal/mol:	-47.08
Dipole, Da:	3.21
IP(EA), eV:	-9.06(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone

Drug info:

PubChemData

Smile

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations