Geometry & MOs

Info

ID:	228640
PubChem CID:	87565462
Reduced:	O4C5H9 (2)
Stoich.:	A4B5C9 (2)
Weight, g/mol:	324.106117
ΔH_f, kcal/mol:	-358.41
Dipole, Da:	3.6
IP(EA), eV:	-10.49(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-5,5-bis(trifluoromethyl)cyclohex-3-ene-1,1-diamine

Drug info:

PubChemData

Smile

CCC(C(=O)OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O

DOS

IR

Vibrations