Geometry & MOs

Info

ID:	427870
PubChem CID:	135164731
Reduced:	BrClN3C18H21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	572.10775
ΔH_f, kcal/mol:	53.08
Dipole, Da:	4.23
IP(EA), eV:	-8.48(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[3-[(2-bromo-4-chlorophenyl)methoxy]-5-[(pyrrolidin-3-ylmethylamino)methyl]phenoxy]methyl]benzoate

Drug info:

PubChemData

Smile

C1C(CN1)CNCC2=CC(=CC=C2)CNC3=C(C=C(C=C3)Cl)Br

DOS

IR

Vibrations