Geometry & MOs

Info

ID:	293538
PubChem CID:	117392576
Reduced:	ClNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	255.102607
ΔH_f, kcal/mol:	-81.44
Dipole, Da:	1.94
IP(EA), eV:	-8.75(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-methoxy-4-methyl-3-(pyrrolidin-2-ylmethyl)phenol

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1O)Cl)CC2CCCCN2

DOS

IR

Vibrations