Geometry & MOs

Info

ID:	328763
PubChem CID:	126727484
Reduced:	ClO2N4C23H31 (1)
Stoich.:	AB2C4D23E31 (1)
Weight, g/mol:	196.14633
ΔH_f, kcal/mol:	-64.37
Dipole, Da:	5.99
IP(EA), eV:	-8.97(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-oxabicyclo[3.1.1]heptan-2-yl)cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)CCC(=O)O)NC3=NC(=NC=C3)Cl

DOS

IR

Vibrations