Geometry & MOs

Info

ID:	407112
PubChem CID:	135079350
Reduced:	FNO4C22H24 (1)
Stoich.:	ABC4D22E24 (1)
Weight, g/mol:	218.105528
ΔH_f, kcal/mol:	-179.79
Dipole, Da:	3.35
IP(EA), eV:	-9.14(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-diazonio-1-(2-propan-2-yloxyphenyl)prop-1-en-1-olate

Drug info:

PubChemData

Smile

CC(C)OC(=O)C(C1=C(C=C(C=C1)F)N=CC2=CC=CC=C2)C(=O)OC(C)C

DOS

IR

Vibrations