Geometry & MOs

Info

ID:	433953
PubChem CID:	135174100
Reduced:	OCl3N3C19H20 (1)
Stoich.:	AB3C3D19E20 (1)
Weight, g/mol:	392.08995
ΔH_f, kcal/mol:	-22.82
Dipole, Da:	2.02
IP(EA), eV:	-9.02(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]methyl]piperidin-4-amine

Drug info:

PubChemData

Smile

C1CNCC1CNCC2=CC(=C(C=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl)Cl

DOS

IR

Vibrations