Geometry & MOs

Info

ID:	277355
PubChem CID:	103828053
Reduced:	BrON2H15C17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	241.110279
ΔH_f, kcal/mol:	36.58
Dipole, Da:	3.96
IP(EA), eV:	-8.36(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxyphenyl)-2,6-dimethylbenzamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)Br)CNC2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations