Geometry & MOs

Info

ID:	261033
PubChem CID:	103215239
Reduced:	NO2F6C11H11 (1)
Stoich.:	AB2C6D11E11 (1)
Weight, g/mol:	426.94477
ΔH_f, kcal/mol:	-382.88
Dipole, Da:	1.73
IP(EA), eV:	-9.86(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-iodophenyl)-[3-(trifluoromethoxy)phenyl]methanamine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC(F)(F)F)C(COCC(F)(F)F)N

DOS

IR

Vibrations