Geometry & MOs

Info

ID:	279640
PubChem CID:	103844542
Reduced:	BrNO3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	237.136493
ΔH_f, kcal/mol:	-82.55
Dipole, Da:	3.84
IP(EA), eV:	-9.1(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-hydroxyethyl)phenoxy]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCO)OCC(=O)NC2=CC=C(C=C2)Br

DOS

IR

Vibrations