Geometry & MOs

Info

ID:	296298
PubChem CID:	117566899
Reduced:	Cl2N2C11H16 (1)
Stoich.:	A2B2C11D16 (1)
Weight, g/mol:	192.162649
ΔH_f, kcal/mol:	-16.36
Dipole, Da:	7.38
IP(EA), eV:	-8.38(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-N-(4-methylphenyl)butane-1,3-diamine

Drug info:

PubChemData

Smile

CC(C)(CN)CNC1=CC(=CC(=C1)Cl)Cl

DOS

IR

Vibrations