Geometry & MOs

Info

ID:	260293
PubChem CID:	103188158
Reduced:	ON3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	309.239182
ΔH_f, kcal/mol:	2.72
Dipole, Da:	2.93
IP(EA), eV:	-8.51(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

Drug info:

PubChemData

Smile

CCN(C(C)CN(C)C)C(CN)C1=CC2=CC=CC=C2O1

DOS

IR

Vibrations