Geometry & MOs

Info

ID:	281059
PubChem CID:	103852658
Reduced:	BrNOC16H16 (1)
Stoich.:	ABCD16E16 (1)
Weight, g/mol:	319.02079
ΔH_f, kcal/mol:	-20.66
Dipole, Da:	3.32
IP(EA), eV:	-8.41(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(4-methoxyphenyl)-3-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC(=C(C=C2)C)C)Br

DOS

IR

Vibrations