Geometry & MOs

Info

ID:	276047
PubChem CID:	103820152
Reduced:	SN2O2C11H24 (1)
Stoich.:	AB2C2D11E24 (1)
Weight, g/mol:	298.129298
ΔH_f, kcal/mol:	-105.59
Dipole, Da:	4.28
IP(EA), eV:	-8.76(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(cyclopropylmethoxy)propylamino]-2-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

CCCS(=O)(=O)CCN1C(CNCC1C)C

DOS

IR

Vibrations