Geometry & MOs

Info

ID:	337980
PubChem CID:	127258603
Reduced:	ClO3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	374.164872
ΔH_f, kcal/mol:	-126.26
Dipole, Da:	2.55
IP(EA), eV:	-9.0(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[4-[(4-chlorophenyl)methyl]phenoxy]-3-methylbutan-2-yl] butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCC(C)OC1=C(C=C(C=C1)CC2=CC=C(C=C2)Cl)C

DOS

IR

Vibrations