Geometry & MOs

Info

ID:	404319
PubChem CID:	135065887
Reduced:	NPO2H22C23 (1)
Stoich.:	ABC2D22E23 (1)
Weight, g/mol:	346.169782
ΔH_f, kcal/mol:	-47.78
Dipole, Da:	3.92
IP(EA), eV:	-8.48(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[tert-butyl-(3,5-dimethylphenoxy)phosphoryl]-3,5-dimethylphenol

Drug info:

PubChemData

Smile

CCOP(=O)(C1=CC=CC=C1)C2=C(N(C3=CC=CC=C32)C)C4=CC=CC=C4

DOS

IR

Vibrations