Geometry & MOs

Info

ID:	413758
PubChem CID:	135086708
Reduced:	NF3O5C16H18 (1)
Stoich.:	AB3C5D16E18 (1)
Weight, g/mol:	319.153206
ΔH_f, kcal/mol:	-365.99
Dipole, Da:	0.33
IP(EA), eV:	-10.24(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-diazonio-1-ethoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylprop-1-en-1-olate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(C(=O)C1=CC(=CC=C1)C(F)(F)F)C(=O)OC

DOS

IR

Vibrations