Geometry & MOs

Info

ID:	343349
PubChem CID:	127266522
Reduced:	OSN4C18H20 (1)
Stoich.:	ABC4D18E20 (1)
Weight, g/mol:	263.152144
ΔH_f, kcal/mol:	35.84
Dipole, Da:	8.15
IP(EA), eV:	-8.97(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]-3-(5-methylfuran-2-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=NN=C(N1C)C2=CC(=CC=C2)NC(=O)C(C)(C)C3=CC=CS3

DOS

IR

Vibrations