Geometry & MOs

Info

ID:	196522
PubChem CID:	78841739
Reduced:	SN2O3C18H24 (1)
Stoich.:	AB2C3D18E24 (1)
Weight, g/mol:	220.14633
ΔH_f, kcal/mol:	-82.76
Dipole, Da:	6.78
IP(EA), eV:	-9.05(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenylpropyl 2-methylbutanoate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NCCOC2=CC=CC=C2

DOS

IR

Vibrations