Geometry & MOs

Info

ID:	273806
PubChem CID:	103805128
Reduced:	BrFON2C12H14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	382.01782
ΔH_f, kcal/mol:	-56.23
Dipole, Da:	5.8
IP(EA), eV:	-9.37(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-4-methoxyphenyl)-2-iodo-3-methylbenzamide

Drug info:

PubChemData

Smile

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)F)Br

DOS

IR

Vibrations