Geometry & MOs

Info

ID:	272463
PubChem CID:	103743505
Reduced:	BrNF2O2C15H20 (1)
Stoich.:	ABC2D2E15F20 (1)
Weight, g/mol:	287.149699
ΔH_f, kcal/mol:	-182.08
Dipole, Da:	1.68
IP(EA), eV:	-9.11(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methyloxan-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine

Drug info:

PubChemData

Smile

CC1(CCOCC1)CNCC2=C(C=CC(=C2)Br)OC(F)F

DOS

IR

Vibrations