Geometry & MOs

Info

ID:	261434
PubChem CID:	103233972
Reduced:	NCl2O3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	213.060135
ΔH_f, kcal/mol:	-136.67
Dipole, Da:	4.34
IP(EA), eV:	-9.56(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-(3,4-difluoroanilino)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)Cl)Cl)NCC2CCC(O2)C(=O)O

DOS

IR

Vibrations