Geometry & MOs

Info

ID:	218177
PubChem CID:	85088995
Reduced:	OSN4C25H32 (1)
Stoich.:	ABC4D25E32 (1)
Weight, g/mol:	436.318875
ΔH_f, kcal/mol:	-8.47
Dipole, Da:	4.16
IP(EA), eV:	-8.12(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[cyclohexyl-(3-methoxyphenyl)methoxy]-1,4-bis[(2-methylpropan-2-yl)oxy]butan-2-ol

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C(=O)NC2(CC3C(CC4=CNC5=CC(=CC3=C45)C(C)(C)C)N(C2)C)C

DOS

IR

Vibrations