Geometry & MOs

Info

ID:	173473
PubChem CID:	75642588
Reduced:	O2N4H13C17 (1)
Stoich.:	A2B4C13D17 (1)
Weight, g/mol:	371.122969
ΔH_f, kcal/mol:	111.82
Dipole, Da:	4.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752868
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxy-2-nitrophenyl)-3-[2-(pyridine-3-carbonyl)hydrazinyl]but-2-enamide

Drug info:

PubChemData

Smile

CC1C2(C3=NC(=[N-])C2(C(C(O1)(O3)C)C4=CC=CC=C4)C#N)C#N

DOS

IR

Vibrations