Geometry & MOs

Info

ID:	293540
PubChem CID:	117392683
Reduced:	ClNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	255.102607
ΔH_f, kcal/mol:	-81.61
Dipole, Da:	4.22
IP(EA), eV:	-8.81(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-methoxy-5-methyl-6-(pyrrolidin-2-ylmethyl)phenol

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)Cl)CC2CCCN2)OC

DOS

IR

Vibrations