Geometry & MOs

Info

ID:	281062
PubChem CID:	103852690
Reduced:	BrON2H13C14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	283.05718
ΔH_f, kcal/mol:	5.37
Dipole, Da:	4.15
IP(EA), eV:	-9.62(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-3-methyl-N-(3-methylbutyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NCC2=CN=CC=C2)Br

DOS

IR

Vibrations