Geometry & MOs

Info

ID:	71321
PubChem CID:	48414622
Reduced:	OS2N3C17H19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	385.146013
ΔH_f, kcal/mol:	68.15
Dipole, Da:	2.63
IP(EA), eV:	-8.85(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CSC=C2)C(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations