Geometry & MOs

Info

ID:	292667
PubChem CID:	117356668
Reduced:	ClNOC13H20 (1)
Stoich.:	ABCD13E20 (1)
Weight, g/mol:	241.123342
ΔH_f, kcal/mol:	-56.21
Dipole, Da:	1.46
IP(EA), eV:	-9.09(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propan-2-amine

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1CCCCN)Cl)C)OC

DOS

IR

Vibrations