Geometry & MOs

Info

ID:	260334
PubChem CID:	103188847
Reduced:	O2N3C14H25 (1)
Stoich.:	A2B3C14D25 (1)
Weight, g/mol:	299.160932
ΔH_f, kcal/mol:	-76.2
Dipole, Da:	3.51
IP(EA), eV:	-8.8(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(dimethylamino)propan-2-yl-ethylamino]-5-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

CCN(C(C)CN(C)C)C(=O)C1(CCOCC1)C#N

DOS

IR

Vibrations