Geometry & MOs

Info

ID:	293293
PubChem CID:	117382756
Reduced:	ClNO2C13H14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	251.107692
ΔH_f, kcal/mol:	-65.4
Dipole, Da:	2.22
IP(EA), eV:	-9.08(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-1-pyrrolidin-3-yl-5,6,7,8-tetrahydronaphthalen-2-ol

Drug info:

PubChemData

Smile

CC(C)(C1=C(C2=C(C=C1)N=C(C=C2)OC)Cl)O

DOS

IR

Vibrations