Geometry & MOs

Info

ID:	287992
PubChem CID:	104305718
Reduced:	ClNO2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	257.00514
ΔH_f, kcal/mol:	-91.23
Dipole, Da:	4.24
IP(EA), eV:	-8.94(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[4-(hydroxymethyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC(CCl)C(=O)NC1=CC=C(C=C1)CO

DOS

IR

Vibrations