Geometry & MOs

Info

ID:	293734
PubChem CID:	117398124
Reduced:	ClNO2C13H20 (1)
Stoich.:	ABC2D13E20 (1)
Weight, g/mol:	257.118257
ΔH_f, kcal/mol:	-84.48
Dipole, Da:	0.81
IP(EA), eV:	-8.7(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloro-2,5-dimethoxy-4-methylphenyl)butan-1-amine

Drug info:

PubChemData

Smile

COCC1=CC(=C(C=C1CCCCN)Cl)OC

DOS

IR

Vibrations