Geometry & MOs

Info

ID:	71789
PubChem CID:	48415400
Reduced:	O2N3C23H31 (1)
Stoich.:	A2B3C23D31 (1)
Weight, g/mol:	250.088832
ΔH_f, kcal/mol:	-36.3
Dipole, Da:	3.44
IP(EA), eV:	-8.99(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(=O)N2CCCC(C2)C(=O)N3CCN(CC3)CCC#C)C

DOS

IR

Vibrations