Geometry & MOs

Info

ID:	267284
PubChem CID:	103581623
Reduced:	BrClNOC11H15 (1)
Stoich.:	ABCDE11F15 (1)
Weight, g/mol:	344.97315
ΔH_f, kcal/mol:	-38.69
Dipole, Da:	2.08
IP(EA), eV:	-9.3(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromo-3-chlorophenyl)methyl]-1-(3,4-difluorophenyl)methanamine

Drug info:

PubChemData

Smile

CC(CNCC1=CC(=C(C=C1)Br)Cl)CO

DOS

IR

Vibrations