Geometry & MOs

Info

ID:	261440
PubChem CID:	103234195
Reduced:	ClNO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	237.116507
ΔH_f, kcal/mol:	-70.36
Dipole, Da:	5.88
IP(EA), eV:	-8.54(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-2-ethyl-4-(3-fluoroanilino)but-2-enoate

Drug info:

PubChemData

Smile

CC/C(=C/CNC1=CC(=CC=C1)Cl)/C(=O)O

DOS

IR

Vibrations