Geometry & MOs

Info

ID:	373607
PubChem CID:	131317769
Reduced:	NO2C12H21 (1)
Stoich.:	AB2C12D21 (1)
Weight, g/mol:	242.04582
ΔH_f, kcal/mol:	-88.93
Dipole, Da:	5.24
IP(EA), eV:	-9.12(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-nitro-2-[(2R)-pyrrolidin-2-yl]phenol

Drug info:

PubChemData

Smile

CCC=C1CN[C@H](COC1=O)C(C)(C)C

DOS

IR

Vibrations