Geometry & MOs

Info

ID:	311425
PubChem CID:	126592384
Reduced:	N5H35C51 (1)
Stoich.:	A5B35C51 (1)
Weight, g/mol:	274.214409
ΔH_f, kcal/mol:	251.73
Dipole, Da:	2.9
IP(EA), eV:	-8.1(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-5-methoxy-2-methyl-6-[(2-methylpropan-2-yl)oxy]oxan-4-ol

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=CC=CC=C5N4C6=CC(=CC(=C6)C7=NC(=NC(=N7)C8=CC=CC=C8)C9=CC=CC=C9)C1=CN=CC2=CC=CC=C21)C

DOS

IR

Vibrations