Geometry & MOs

Info

ID:	281076
PubChem CID:	103852794
Reduced:	BrON3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	335.0321
ΔH_f, kcal/mol:	-9.3
Dipole, Da:	5.05
IP(EA), eV:	-9.08(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[(2-fluorophenyl)methyl]-N,3-dimethylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NCCCN2C(=CC(=N2)C)C)Br

DOS

IR

Vibrations