Geometry & MOs

Info

ID:	274331
PubChem CID:	103808578
Reduced:	BrN2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	322.0117
ΔH_f, kcal/mol:	-72.96
Dipole, Da:	2.9
IP(EA), eV:	-9.06(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-(3-bromo-2-methylphenyl)-4-fluorobenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)NC(=O)CC2CNCCO2

DOS

IR

Vibrations