Geometry & MOs

Info

ID:	264299
PubChem CID:	103451136
Reduced:	N2O2C15H22 (1)
Stoich.:	A2B2C15D22 (1)
Weight, g/mol:	228.20893
ΔH_f, kcal/mol:	-45.52
Dipole, Da:	3.32
IP(EA), eV:	-8.75(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-hydroxyheptyl)cycloheptan-1-ol

Drug info:

PubChemData

Smile

CC1CCC(=CC1)C(=O)C2=C(C=NN2C(C)C)OC

DOS

IR

Vibrations