Geometry & MOs

Info

ID:	207123
PubChem CID:	80350243
Reduced:	BrOCl2N2H11C13 (1)
Stoich.:	ABC2D2E11F13 (1)
Weight, g/mol:	303.090518
ΔH_f, kcal/mol:	-1.36
Dipole, Da:	4.97
IP(EA), eV:	-8.33(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-amino-4,5-dichlorophenyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC2=CC(=C(C=C2N)Cl)Cl)Br

DOS

IR

Vibrations