Geometry & MOs

Info

ID:	128756
PubChem CID:	51057185
Reduced:	ClN2O5C20H29 (1)
Stoich.:	AB2C5D20E29 (1)
Weight, g/mol:	306.065887
ΔH_f, kcal/mol:	-214.42
Dipole, Da:	4.95
IP(EA), eV:	-8.72(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-methoxyphenyl)methyl 2-hydroxy-2-phenylacetate

Drug info:

PubChemData

Smile

CN1CCNCC1.C1=CC=C(C=C1)COC2=C(C=C(C=C2)CC(=O)O)Cl.O.O

DOS

IR

Vibrations