Geometry & MOs

Info

ID:	200400
PubChem CID:	79382088
Reduced:	SF3N3C14H24 (1)
Stoich.:	AB3C3D14E24 (1)
Weight, g/mol:	310.219118
ΔH_f, kcal/mol:	-163.96
Dipole, Da:	1.79
IP(EA), eV:	-8.54(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(4-ethylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCNCC1=C(N=C(S1)N(CC)CC(F)(F)F)C(C)C

DOS

IR

Vibrations