Geometry & MOs

Info

ID:	411863
PubChem CID:	135084708
Reduced:	PN2O2C32H33 (1)
Stoich.:	AB2C2D32E33 (1)
Weight, g/mol:	709.17453
ΔH_f, kcal/mol:	16.63
Dipole, Da:	2.16
IP(EA), eV:	-8.61(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylamino]-1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-ol

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1)[C@@H](C3CC4CCN3CC4C=C)OP(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations