Geometry & MOs

Info

ID:	320474
PubChem CID:	126661316
Reduced:	ClFON2H18C19 (1)
Stoich.:	ABCD2E18F19 (1)
Weight, g/mol:	370.169271
ΔH_f, kcal/mol:	-52.39
Dipole, Da:	5.22
IP(EA), eV:	-9.68(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-fluoro-2-methyl-3-(4-nitrophenyl)phenyl]-2-methyl-N-propylbut-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1/C(=C/2\CCCNC2=O)/C)F)C3=CN=C(C=C3)Cl

DOS

IR

Vibrations