Geometry & MOs

Info

ID:	183344
PubChem CID:	77010789
Reduced:	ClO2N3C14H18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	288.147393
ΔH_f, kcal/mol:	-16.14
Dipole, Da:	5.84
IP(EA), eV:	-8.29(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(aminomethyl)cyclopentyl]-3-(1,3-benzodioxol-5-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)OCC2CCNC(=C(N)N=O)C2

DOS

IR

Vibrations