Geometry & MOs

Info

ID:	71467
PubChem CID:	48414923
Reduced:	ON5C19H27 (1)
Stoich.:	AB5C19D27 (1)
Weight, g/mol:	369.151098
ΔH_f, kcal/mol:	52.56
Dipole, Da:	4.19
IP(EA), eV:	-8.85(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CCC#N)C)CCC(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations