Geometry & MOs

Info

ID:	281058
PubChem CID:	103852648
Reduced:	BrON2C15H21 (1)
Stoich.:	ABC2D15E21 (1)
Weight, g/mol:	317.04153
ΔH_f, kcal/mol:	-34.05
Dipole, Da:	3.14
IP(EA), eV:	-8.72(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N(C)C2CCN(CC2)C)Br

DOS

IR

Vibrations