Geometry & MOs

Info

ID:	267257
PubChem CID:	103581556
Reduced:	BrClNOC15H15 (1)
Stoich.:	ABCDE15F15 (1)
Weight, g/mol:	353.0182
ΔH_f, kcal/mol:	-0.22
Dipole, Da:	3.7
IP(EA), eV:	-9.1(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromo-3-chlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine

Drug info:

PubChemData

Smile

C1CC(C2=C(C1)OC=C2)NCC3=CC(=C(C=C3)Br)Cl

DOS

IR

Vibrations