Geometry & MOs

Info

ID:	268200
PubChem CID:	103598337
Reduced:	N2O2F4C17H20 (1)
Stoich.:	A2B2C4D17E20 (1)
Weight, g/mol:	359.257277
ΔH_f, kcal/mol:	-257.97
Dipole, Da:	7.44
IP(EA), eV:	-9.11(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=CC(=O)NCC2CCN(C2)CC(F)(F)F)F

DOS

IR

Vibrations