Geometry & MOs

Info

ID:	290253
PubChem CID:	104423077
Reduced:	BrClN2C13H20 (1)
Stoich.:	ABC2D13E20 (1)
Weight, g/mol:	250.204513
ΔH_f, kcal/mol:	-2.62
Dipole, Da:	2.55
IP(EA), eV:	-8.94(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methoxyphenyl)ethyl]-N'-propan-2-ylpropane-1,3-diamine

Drug info:

PubChemData

Smile

CC(C)NCCCNCC1=C(C=CC(=C1)Br)Cl

DOS

IR

Vibrations