Geometry & MOs

Info

ID:	404237
PubChem CID:	135065513
Reduced:	PN2O2C26H31 (1)
Stoich.:	AB2C2D26E31 (1)
Weight, g/mol:	390.195996
ΔH_f, kcal/mol:	-69.54
Dipole, Da:	4.46
IP(EA), eV:	-8.9(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-2-[(5-tert-butyl-2-hydroxyphenyl)-ethoxyphosphoryl]phenol

Drug info:

PubChemData

Smile

C[C@H]1CC[C@H]([C@@H](C1)OP(=O)(C2=CC=CC=C2)C3=C(N(C4=CC=CC=C43)C)C#N)C(C)C

DOS

IR

Vibrations