Geometry & MOs

Info

ID:	432981
PubChem CID:	135173118
Reduced:	ClNH16C24 (1)
Stoich.:	ABC16D24 (1)
Weight, g/mol:	234.16198
ΔH_f, kcal/mol:	106.23
Dipole, Da:	1.37
IP(EA), eV:	-9.05(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenylethyl 4,4-dimethylpentanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=C(C4=CC=CC=C42)C(=CC=C3)Cl)C5=CN=CC=C5

DOS

IR

Vibrations