Geometry & MOs

Info

ID:	89428
PubChem CID:	49961648
Reduced:	O2N4H16C17 (1)
Stoich.:	A2B4C16D17 (1)
Weight, g/mol:	262.070205
ΔH_f, kcal/mol:	42.2
Dipole, Da:	3.73
IP(EA), eV:	-8.96(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2Z)-2-cyano-2-[(2-methyl-5-nitrophenyl)hydrazinylidene]acetate

Drug info:

PubChemData

Smile

CC(=O)C(=NNC1=CC=C(C=C1)N=NC2=CC=CC=C2)C(=O)C

DOS

IR

Vibrations