Geometry & MOs

Info

ID:	385002
PubChem CID:	134978125
Reduced:	NOH5C6 (1)
Stoich.:	ABC5D6 (1)
Weight, g/mol:	408.147393
ΔH_f, kcal/mol:	35.82
Dipole, Da:	3.11
IP(EA), eV:	-10.26(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-nitro-5-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenol

Drug info:

PubChemData

Smile

C#C/C=C\CN=C=O

DOS

IR

Vibrations