Geometry & MOs

Info

ID:	89426
PubChem CID:	49961642
Reduced:	O2N5H15C17 (1)
Stoich.:	A2B5C15D17 (1)
Weight, g/mol:	245.116427
ΔH_f, kcal/mol:	77.34
Dipole, Da:	5.21
IP(EA), eV:	-8.99(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E)-2-cyano-2-[(3,4-dimethylphenyl)hydrazinylidene]acetate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=N/NC1=CC=C(C=C1)N=NC2=CC=CC=C2)/C#N

DOS

IR

Vibrations