Geometry & MOs

Info

ID:	433977
PubChem CID:	135174127
Reduced:	BrClSN2O2C18H20 (1)
Stoich.:	ABCD2E2F18G20 (1)
Weight, g/mol:	392.08995
ΔH_f, kcal/mol:	-19.51
Dipole, Da:	6.5
IP(EA), eV:	-9.32(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]methyl]-1-pyrrolidin-3-ylmethanamine

Drug info:

PubChemData

Smile

C1C(CN1)CNCC2=CC=C(C=C2)S(=O)(=O)CC3=C(C=C(C=C3)Cl)Br

DOS

IR

Vibrations