Geometry & MOs

Info

ID:	265658
PubChem CID:	103537416
Reduced:	ClN2O2C11H15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	289.167794
ΔH_f, kcal/mol:	-57.92
Dipole, Da:	5.12
IP(EA), eV:	-8.5(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[2-(3-methoxypyrrolidin-1-yl)ethoxy]phenyl]but-3-yn-1-ol

Drug info:

PubChemData

Smile

COC1CN(CC1OC)C2=NC=C(C=C2)Cl

DOS

IR

Vibrations