Geometry & MOs

Info

ID:	202346
PubChem CID:	79660530
Reduced:	BrNF4C13H16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	262.240899
ΔH_f, kcal/mol:	-200.97
Dipole, Da:	2.83
IP(EA), eV:	-9.44(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(3,5-dimethylphenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine

Drug info:

PubChemData

Smile

CCNC(C1=C(C=C(C(=C1)C)Br)C)C(C(F)F)(F)F

DOS

IR

Vibrations