Geometry & MOs

Info

ID:	310761
PubChem CID:	126587274
Reduced:	SN3O3H19C20 (1)
Stoich.:	AB3C3D19E20 (1)
Weight, g/mol:	292.98182
ΔH_f, kcal/mol:	-54.25
Dipole, Da:	2.72
IP(EA), eV:	-8.72(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-2-methoxyanilino)-3-chloropropan-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=CN(C1=O)C)C2=CC3=C(C(=C2)OCC4=CSC=N4)NC(=O)CC3

DOS

IR

Vibrations