Geometry & MOs

Info

ID:	29494
PubChem CID:	834396
Reduced:	ClFNOC16H17 (1)
Stoich.:	ABCDE16F17 (1)
Weight, g/mol:	293.02154
ΔH_f, kcal/mol:	-56.06
Dipole, Da:	5.69
IP(EA), eV:	-8.85(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)methanamine

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)Cl)CNCC2=CC=C(C=C2)F

DOS

IR

Vibrations