Geometry & MOs

Info

ID:	342443
PubChem CID:	127265598
Reduced:	N2O3C15H20 (1)
Stoich.:	A2B3C15D20 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	-74.54
Dipole, Da:	1.67
IP(EA), eV:	-9.54(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5-methylpyridin-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCOCC1C2CC2)OC3=CN=CC=C3

DOS

IR

Vibrations