Geometry & MOs

Info

ID:	374751
PubChem CID:	131342617
Reduced:	ON2H12C13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	239.107692
ΔH_f, kcal/mol:	27.38
Dipole, Da:	5.98
IP(EA), eV:	-8.74(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-aminocyclopentyl)-1-(3-chlorophenyl)ethanol

Drug info:

PubChemData

Smile

CCN1C=C(C(=C1)C2=CC=CC=C2O)C#N

DOS

IR

Vibrations