Geometry & MOs

Info

ID:	267236
PubChem CID:	103581478
Reduced:	BrClNO2H13C15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	318.04984
ΔH_f, kcal/mol:	-19.83
Dipole, Da:	2.96
IP(EA), eV:	-8.82(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[(4-bromo-3-chlorophenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)CNCC3=CC(=C(C=C3)Br)Cl

DOS

IR

Vibrations