Geometry & MOs

Info

ID:	312193
PubChem CID:	126603550
Reduced:	OSN2C12H24 (1)
Stoich.:	ABC2D12E24 (1)
Weight, g/mol:	354.153068
ΔH_f, kcal/mol:	-45.57
Dipole, Da:	4.71
IP(EA), eV:	-8.8(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[3,5-bis(trifluoromethyl)phenyl]-1-N'-(3-methylpentan-3-yl)ethene-1,1-diamine

Drug info:

PubChemData

Smile

CC(CCC(C)N(C1CC1)S)N(C)C(=O)C

DOS

IR

Vibrations