Geometry & MOs

Info

ID:	280896
PubChem CID:	103851813
Reduced:	O2N4C17H30 (1)
Stoich.:	A2B4C17D30 (1)
Weight, g/mol:	291.070483
ΔH_f, kcal/mol:	-102.18
Dipole, Da:	3.75
IP(EA), eV:	-8.99(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-prop-2-ynylsulfanylethanamine

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CNC2CCC(CC2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations