Geometry & MOs

Info

ID:	290255
PubChem CID:	104423185
Reduced:	ON2C12H28 (1)
Stoich.:	AB2C12D28 (1)
Weight, g/mol:	296.08881
ΔH_f, kcal/mol:	-78.26
Dipole, Da:	2.36
IP(EA), eV:	-8.76(2.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromo-2-methylphenyl)methyl]-N'-cyclopropylpropane-1,3-diamine

Drug info:

PubChemData

Smile

CC(C)NCCCNCCCC(C)OC

DOS

IR

Vibrations