Geometry & MOs

Info

ID:	137690
PubChem CID:	52245328
Reduced:	ClON4C18H29 (1)
Stoich.:	ABC4D18E29 (1)
Weight, g/mol:	369.198974
ΔH_f, kcal/mol:	-36.57
Dipole, Da:	2.32
IP(EA), eV:	-8.76(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(2-piperidin-1-ium-1-ylethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1/C=C/C(=O)NCCN2CCCCC2)Cl)CC(C)C

DOS

IR

Vibrations