Geometry & MOs

Info

ID:	337490
PubChem CID:	127258113
Reduced:	PO4C30H45 (1)
Stoich.:	AB4C30D45 (1)
Weight, g/mol:	422.201082
ΔH_f, kcal/mol:	-264.02
Dipole, Da:	0.81
IP(EA), eV:	-8.48(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[bis(4-phenylbutyl)phosphoryl]benzene-1,4-diol

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)OP(=O)(C2=CC=CC=C2)OC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)C(C)C

DOS

IR

Vibrations