Geometry & MOs

Info

ID:	299098
PubChem CID:	117671335
Reduced:	N2F3O6H33C39 (1)
Stoich.:	A2B3C6D33E39 (1)
Weight, g/mol:	199.040006
ΔH_f, kcal/mol:	-314.73
Dipole, Da:	6.6
IP(EA), eV:	-8.97(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(E)-2-carboxyethenyl]phenyl]chloranuidylazanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC2=CC=C(C=C2)C(C)(C3=CC=C(C=C3)OC4=CC=C(C=C4)N5C(=O)C6CC7C(CC6C5=O)C(=O)N(C7=O)C)C(F)(F)F

DOS

IR

Vibrations