Geometry & MOs

Info

ID:	378436
PubChem CID:	134224517
Reduced:	O2C13H22 (1)
Stoich.:	A2B13C22 (1)
Weight, g/mol:	225.209264
ΔH_f, kcal/mol:	-95.82
Dipole, Da:	3.62
IP(EA), eV:	-9.75(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-5,5-dimethylhexyl)-4-methylcyclopentan-1-one

Drug info:

PubChemData

Smile

CC(C/C(=C/C1CCCCC1)/C=O)OC

DOS

IR

Vibrations