Geometry & MOs

Info

ID:	267291
PubChem CID:	103581650
Reduced:	BrClNOC13H19 (1)
Stoich.:	ABCDE13F19 (1)
Weight, g/mol:	318.04984
ΔH_f, kcal/mol:	-52.59
Dipole, Da:	4.82
IP(EA), eV:	-9.26(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromo-3-chlorophenyl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine

Drug info:

PubChemData

Smile

CCC(CC)(CNCC1=CC(=C(C=C1)Br)Cl)O

DOS

IR

Vibrations