Geometry & MOs

Info

ID:	293550
PubChem CID:	117392781
Reduced:	ClNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	255.102607
ΔH_f, kcal/mol:	-50.34
Dipole, Da:	1.73
IP(EA), eV:	-9.11(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)propan-1-one

Drug info:

PubChemData

Smile

C1CC(C1)COC2=CC(=CC(=C2)CCON)Cl

DOS

IR

Vibrations