Geometry & MOs

Info

ID:	292654
PubChem CID:	117356443
Reduced:	ClNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	241.086957
ΔH_f, kcal/mol:	-82.51
Dipole, Da:	2.49
IP(EA), eV:	-8.63(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C2C(=C1CC(C)N)OCCO2)Cl

DOS

IR

Vibrations