Geometry & MOs

Info

ID:	159071
PubChem CID:	57260114
Reduced:	SN6C20H22 (1)
Stoich.:	AB6C20D22 (1)
Weight, g/mol:	266.151809
ΔH_f, kcal/mol:	130.33
Dipole, Da:	2.61
IP(EA), eV:	-8.32(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxyphenyl)methyl 3-ethyl-2-hydroxypentanoate

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NSC(=N2)N(C3=CC=CC=C3)C(=N)C4=CC=CC=C4

DOS

IR

Vibrations