Geometry & MOs

Info

ID:	276795
PubChem CID:	103825239
Reduced:	BrClNO2C13H17 (1)
Stoich.:	ABCD2E13F17 (1)
Weight, g/mol:	277.167794
ΔH_f, kcal/mol:	-98.08
Dipole, Da:	2.12
IP(EA), eV:	-9.64(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-2,2-dimethylbutyl)-4-prop-2-enoxybenzamide

Drug info:

PubChemData

Smile

CC(C)(CCO)CNC(=O)C1=C(C=C(C=C1)Cl)Br

DOS

IR

Vibrations