Geometry & MOs

Info

ID:	267318
PubChem CID:	103581769
Reduced:	BrClNF3C10H10 (1)
Stoich.:	ABCD3E10F10 (1)
Weight, g/mol:	331.03385
ΔH_f, kcal/mol:	-150.55
Dipole, Da:	0.41
IP(EA), eV:	-9.67(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-3-chlorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CNCCC(F)(F)F)Cl)Br

DOS

IR

Vibrations