Geometry & MOs

Info

ID:	137691
PubChem CID:	52245329
Reduced:	F2N2O3C19H27 (1)
Stoich.:	A2B2C3D19E27 (1)
Weight, g/mol:	368.191149
ΔH_f, kcal/mol:	-183.45
Dipole, Da:	6.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753741
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C/C(=O)NCC[NH+]2CCCCC2)OC(F)F

DOS

IR

Vibrations