Geometry & MOs

Info

ID:	270606
PubChem CID:	103637295
Reduced:	BrON2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	288.079619
ΔH_f, kcal/mol:	27.4
Dipole, Da:	4.74
IP(EA), eV:	-9.07(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-6-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C#N)NCC2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations