Geometry & MOs

Info

ID:	317913
PubChem CID:	126647598
Reduced:	BrClFPN3O9C21H25 (1)
Stoich.:	ABCDE3F9G21H25 (1)
Weight, g/mol:	272.09094
ΔH_f, kcal/mol:	-476.83
Dipole, Da:	5.17
IP(EA), eV:	-10.01(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[(4-cyano-2-methoxyphenyl)methylidene]-N-hydrazinylidene-3-oxobutanamide

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(C)N[P@@](=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC(=O)NC2=O)(Cl)Br)O)OC3=CC(=CC=C3)F

DOS

IR

Vibrations