Geometry & MOs

Info

ID:	294572
PubChem CID:	117471158
Reduced:	ClO2N3C14H14 (1)
Stoich.:	AB2C3D14E14 (1)
Weight, g/mol:	291.069592
ΔH_f, kcal/mol:	-27.72
Dipole, Da:	5.68
IP(EA), eV:	-8.34(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-4-methoxy-5-methylsulfonylphenyl)butan-1-amine

Drug info:

PubChemData

Smile

C1CCN(C1)C2=C(C=C(C=C2)C3=NNC(=C3)C(=O)O)Cl

DOS

IR

Vibrations