Geometry & MOs

Info

ID:	401649
PubChem CID:	135051980
Reduced:	N2O4C13H15 (2)
Stoich.:	A2B4C13D15 (2)
Weight, g/mol:	264.085855
ΔH_f, kcal/mol:	-255.68
Dipole, Da:	2.31
IP(EA), eV:	-8.21(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-[2-(4-nitrophenyl)hydrazinyl]-3-nitrosopent-3-en-2-one

Drug info:

PubChemData

Smile

CC(=O)OC[C@H]([C@H]([C@@H](/C(=N/NC1=CC=CC=C1)/C=N/NC2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations