Geometry & MOs

Info

ID:	427863
PubChem CID:	135164690
Reduced:	BrClN2O2C20H22 (1)
Stoich.:	ABC2D2E20F22 (1)
Weight, g/mol:	409.05565
ΔH_f, kcal/mol:	-34.63
Dipole, Da:	4.04
IP(EA), eV:	-9.2(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-[(2-bromo-4-chlorophenyl)methoxy]pyridin-3-yl]methyl]-1-pyrrolidin-3-ylmethanamine

Drug info:

PubChemData

Smile

C1CNCC1CNCC(=O)C2=CC=C(C=C2)OCC3=C(C=C(C=C3)Cl)Br

DOS

IR

Vibrations