Geometry & MOs

Info

ID:	184174
PubChem CID:	77124703
Reduced:	ION2C15H17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	262.168128
ΔH_f, kcal/mol:	10.96
Dipole, Da:	4.75
IP(EA), eV:	-9.04(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(aminomethyl)cyclopentyl]-N-ethyl-3-(furan-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCC1=NC(=NC(=O)C1I)CC2=CC(=C(C=C2)C)C

DOS

IR

Vibrations