Geometry & MOs

Info

ID:	213232
PubChem CID:	81063216
Reduced:	ClON2C17H29 (1)
Stoich.:	ABC2D17E29 (1)
Weight, g/mol:	305.123878
ΔH_f, kcal/mol:	-49.07
Dipole, Da:	3.19
IP(EA), eV:	-8.68(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[methyl(2-propan-2-yloxyethyl)amino]-2-(trifluoromethyl)benzoic acid

Drug info:

PubChemData

Smile

CCCNC(CCN(C)CCOCC)C1=CC=C(C=C1)Cl

DOS

IR

Vibrations