Geometry & MOs

Info

ID:	309597
PubChem CID:	126550343
Reduced:	FCl2N5O7C20H26 (1)
Stoich.:	AB2C5D7E20F26 (1)
Weight, g/mol:	388.24023
ΔH_f, kcal/mol:	-325.24
Dipole, Da:	5.49
IP(EA), eV:	-9.58(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-5-[[4-[2-(2-hydroxyphenyl)-2-methylpropyl]phenyl]methyl]phenol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C1=NC2=C(C(=N1)Cl)N=CN2[C@H]3C([C@H]([C@H](O3)CO)O)(F)Cl)C(=O)OC(C)(C)C

DOS

IR

Vibrations