Geometry & MOs

Info

ID:	71461
PubChem CID:	48414914
Reduced:	O3N4C17H26 (1)
Stoich.:	A3B4C17D26 (1)
Weight, g/mol:	370.146347
ΔH_f, kcal/mol:	-90.32
Dipole, Da:	1.12
IP(EA), eV:	-8.98(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1(C(=O)N(C(=O)N1)CC(=O)N2CCN(CC2)CCC#C)CC

DOS

IR

Vibrations