Geometry & MOs

Info

ID:	342330
PubChem CID:	127265111
Reduced:	ClN2O2C13H19 (1)
Stoich.:	AB2C2D13E19 (1)
Weight, g/mol:	234.136828
ΔH_f, kcal/mol:	-65.51
Dipole, Da:	2.22
IP(EA), eV:	-9.06(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclopropylamino)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C=CC(=O)NCCNC2CC2.Cl

DOS

IR

Vibrations