Geometry & MOs

Info

ID:	184007
PubChem CID:	77101547
Reduced:	FNO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	265.147807
ΔH_f, kcal/mol:	-102.74
Dipole, Da:	3.74
IP(EA), eV:	-8.81(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-ethyl-4-(N-ethyl-2-fluoroanilino)but-2-enoate

Drug info:

PubChemData

Smile

CCC(=CCN(C)C1=CC(=CC=C1)F)C(=O)O

DOS

IR

Vibrations