Geometry & MOs

Info

ID:	178030
PubChem CID:	76266549
Reduced:	NF4O4C20H21 (1)
Stoich.:	AB4C4D20E21 (1)
Weight, g/mol:	365.153955
ΔH_f, kcal/mol:	-329.68
Dipole, Da:	3.7
IP(EA), eV:	-9.08(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN(C(C)C)C(=O)C=CC2=C(C=C(C=C2)OC(F)F)OC(F)F

DOS

IR

Vibrations