Geometry & MOs

Info

ID:	224753
PubChem CID:	85349217
Reduced:	OC8H12 (2)
Stoich.:	AB8C12 (2)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-31.91
Dipole, Da:	2.65
IP(EA), eV:	-9.57(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylphenyl)methyl 3-acetamidobutanoate

Drug info:

PubChemData

Smile

CCC=CCC=CCC=CCC=CC1C(O1)CO

DOS

IR

Vibrations