Geometry & MOs

Info

ID:	292555
PubChem CID:	116933584
Reduced:	ClON2C12H19 (1)
Stoich.:	ABC2D12E19 (1)
Weight, g/mol:	252.183778
ΔH_f, kcal/mol:	-48.38
Dipole, Da:	4.6
IP(EA), eV:	-9.04(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,5-dimethoxy-2-methylphenyl)-3-methylbutane-1,3-diamine

Drug info:

PubChemData

Smile

CC(C)(CC(C1=C(C=C(C=C1)OC)Cl)N)N

DOS

IR

Vibrations