Geometry & MOs

Info

ID:	228261
PubChem CID:	87563764
Reduced:	ClOSN3C19H24 (1)
Stoich.:	ABCD3E19F24 (1)
Weight, g/mol:	260.17763
ΔH_f, kcal/mol:	-37.0
Dipole, Da:	9.63
IP(EA), eV:	-8.12(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,5-ditert-butyl-4-hydroxyphenyl)prop-2-enal

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N.Cl

DOS

IR

Vibrations