Geometry & MOs

Info

ID:	338820
PubChem CID:	127259831
Reduced:	NCl2O2C21H25 (1)
Stoich.:	AB2C2D21E25 (1)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	-80.76
Dipole, Da:	2.55
IP(EA), eV:	-8.5(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxypropyl 4-phenylbutanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCC(=O)OCC2=CC=C(C=C2)N(CCCl)CCCl

DOS

IR

Vibrations