Geometry & MOs

Info

ID:	219036
PubChem CID:	85090396
Reduced:	OCl2N3C19H25 (1)
Stoich.:	AB2C3D19E25 (1)
Weight, g/mol:	542.126498
ΔH_f, kcal/mol:	74.67
Dipole, Da:	12.11
IP(EA), eV:	-5.94(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3,4,5,6-pentafluorophenyl) 12-(phenylmethoxycarbonylamino)-3-azatricyclo[6.5.1.04,14]tetradeca-1,4,6,8(14),9-pentaene-12-carboxylate

Drug info:

PubChemData

Smile

C[N+](C)(C)CCC[N+]1=CC=C(C=C1)C=NOCC2=C(C=CC=C2Cl)Cl

DOS

IR

Vibrations