Geometry & MOs

Info

ID:	43299
PubChem CID:	10320922
Reduced:	O2N4H26C27 (1)
Stoich.:	A2B4C26D27 (1)
Weight, g/mol:	438.253511
ΔH_f, kcal/mol:	-2.46
Dipole, Da:	5.33
IP(EA), eV:	-8.64(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(3,5-ditert-butyl-4-hydroxyphenyl)-4-diethoxyphosphoryl-4-methylpent-1-en-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)CN3C(=O)C(NC3=O)CC4=CC5=C(C=C4)NC=C5CCN

DOS

IR

Vibrations