Geometry & MOs

Info

ID:	55867
PubChem CID:	17396761
Reduced:	BrNO4C16H16 (1)
Stoich.:	ABC4D16E16 (1)
Weight, g/mol:	255.125929
ΔH_f, kcal/mol:	-113.05
Dipole, Da:	6.5
IP(EA), eV:	-8.65(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyphenyl)-4-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1Br)C(=O)NC2=CC=CC=C2O)OC

DOS

IR

Vibrations