Geometry & MOs

Info

ID:	312740
PubChem CID:	126607684
Reduced:	O3N4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	584.19987
ΔH_f, kcal/mol:	-75.49
Dipole, Da:	2.97
IP(EA), eV:	-8.39(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-[2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]-iodo-[4-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxyphenyl]methanol

Drug info:

PubChemData

Smile

C1CCOC2=CC=CC(=C2)CN3C(NC4=C(N=C(C=C43)OCC1)N)O

DOS

IR

Vibrations