Geometry & MOs

Info

ID:	273971
PubChem CID:	103806195
Reduced:	BrFON2C16H16 (1)
Stoich.:	ABCD2E16F16 (1)
Weight, g/mol:	413.99959
ΔH_f, kcal/mol:	-43.33
Dipole, Da:	2.16
IP(EA), eV:	-9.43(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(2-aminoethyl)phenyl]methyl]-3-chloro-4-iodobenzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCN)CNC(=O)C2=CC(=C(C=C2)F)Br

DOS

IR

Vibrations