Geometry & MOs

Info

ID:	296292
PubChem CID:	117566591
Reduced:	NC6H10 (2)
Stoich.:	AB6C10 (2)
Weight, g/mol:	256.05751
ΔH_f, kcal/mol:	4.24
Dipole, Da:	2.33
IP(EA), eV:	-8.4(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2-bromo-4-methylphenyl)-N-methylpropane-1,3-diamine

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NCCCNC)C

DOS

IR

Vibrations