Geometry & MOs

Info

ID:	203125
PubChem CID:	79782678
Reduced:	OSN3C16H23 (1)
Stoich.:	ABC3D16E23 (1)
Weight, g/mol:	306.155512
ΔH_f, kcal/mol:	3.81
Dipole, Da:	1.79
IP(EA), eV:	-8.95(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-[3-(2,2,2-trifluoroethoxy)propoxy]pyridin-2-yl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCNCC1=NC=C(C=C1)OCC2=CSC(=N2)C(C)C

DOS

IR

Vibrations