Geometry & MOs

Info

ID:	271903
PubChem CID:	103698634
Reduced:	NO3C16H27 (1)
Stoich.:	AB3C16D27 (1)
Weight, g/mol:	229.111205
ΔH_f, kcal/mol:	-114.41
Dipole, Da:	2.87
IP(EA), eV:	-8.52(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]butan-1-amine

Drug info:

PubChemData

Smile

CCC(C)(C)CNCC1=C(C(=C(C=C1)OC)OC)OC

DOS

IR

Vibrations