Geometry & MOs

Info

ID:	261030
PubChem CID:	103215130
Reduced:	NO2F6C12H13 (1)
Stoich.:	AB2C6D12E13 (1)
Weight, g/mol:	386.98869
ΔH_f, kcal/mol:	-384.73
Dipole, Da:	5.49
IP(EA), eV:	-9.47(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-iodophenyl)-(2-methoxy-5-methylphenyl)methanamine

Drug info:

PubChemData

Smile

CNC(COCC(F)(F)F)C1=CC=CC=C1OC(F)(F)F

DOS

IR

Vibrations