Geometry & MOs

Info

ID:	265650
PubChem CID:	103536924
Reduced:	N3O3C14H15 (1)
Stoich.:	A3B3C14D15 (1)
Weight, g/mol:	259.120843
ΔH_f, kcal/mol:	-69.77
Dipole, Da:	5.1
IP(EA), eV:	-9.44(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-hydroxyprop-1-ynyl)phenyl]-(3-methoxypyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

COC1CCN(C1)C(=O)C2=NNC(=O)C3=CC=CC=C32

DOS

IR

Vibrations