Geometry & MOs

Info

ID:	323355
PubChem CID:	126674477
Reduced:	O9H38C39 (1)
Stoich.:	A9B38C39 (1)
Weight, g/mol:	186.16198
ΔH_f, kcal/mol:	-312.55
Dipole, Da:	2.47
IP(EA), eV:	-8.29(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,4-triethyl-4-methylcyclobutane-1,1-diol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1O)OC)C2C3=C(C=CC4=C3C=C(C=C4)OC(=O)OC(C)(C)C)OC5=C2C6=C(C=CC(=C6)OC(=O)OC(C)(C)C)C=C5

DOS

IR

Vibrations