Geometry & MOs

Info

ID:	200654
PubChem CID:	79422942
Reduced:	BrN2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	228.20893
ΔH_f, kcal/mol:	24.53
Dipole, Da:	3.57
IP(EA), eV:	-9.09(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxy-3-methylbutyl)-4-propylcyclohexan-1-ol

Drug info:

PubChemData

Smile

CCC(C)N1C=CC(=N1)CC(CBr)C2=CC=CC(=C2)C

DOS

IR

Vibrations