Geometry & MOs

Info

ID:	410848
PubChem CID:	135083649
Reduced:	O6C11H12 (1)
Stoich.:	A6B11C12 (1)
Weight, g/mol:	221.141579
ΔH_f, kcal/mol:	-180.69
Dipole, Da:	3.77
IP(EA), eV:	-10.66(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-2-methyl-4-phenylbutyl)acetamide

Drug info:

PubChemData

Smile

CC(=O)OC/C=C\COC(=O)C#CC(=O)OC

DOS

IR

Vibrations