Geometry & MOs

Info

ID:	277533
PubChem CID:	103829257
Reduced:	N2O2C15H20 (1)
Stoich.:	A2B2C15D20 (1)
Weight, g/mol:	221.141579
ΔH_f, kcal/mol:	-33.21
Dipole, Da:	7.36
IP(EA), eV:	-8.99(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[[3-(methoxymethyl)phenyl]methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

COC1CCCN(C1)CC2=CC(=C(C=C2)OC)C#N

DOS

IR

Vibrations