Geometry & MOs

Info

ID:	131099
PubChem CID:	51155919
Reduced:	ClFO2N4C18H22 (1)
Stoich.:	ABC2D4E18F22 (1)
Weight, g/mol:	311.163377
ΔH_f, kcal/mol:	-80.18
Dipole, Da:	4.05
IP(EA), eV:	-9.01(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[1-(2-cyanoethyl)indol-3-yl]-N-(3-methoxypropyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(=O)NCCCN2CCOCC2)Cl)C3=CC=C(C=C3)F

DOS

IR

Vibrations