Geometry & MOs

Info

ID:	170511
PubChem CID:	75244636
Reduced:	Cl3O6C36H53 (1)
Stoich.:	A3B6C36D53 (1)
Weight, g/mol:	311.152144
ΔH_f, kcal/mol:	-358.07
Dipole, Da:	5.24
IP(EA), eV:	-9.18(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[benzyl(hydroxy)amino]-4-phenylbut-2-enyl] acetate

Drug info:

PubChemData

Smile

CC1CCCCC(C2=C(C=C(C=C2O)C(C(CCCCC(C3=C(C=C(C1O)C=C3O)O)CCCC(Cl)Cl)C)O)O)CCCCCl

DOS

IR

Vibrations