Geometry & MOs

Info

ID:	124529
PubChem CID:	50887146
Reduced:	O2N5C15H15 (1)
Stoich.:	A2B5C15D15 (1)
Weight, g/mol:	312.089226
ΔH_f, kcal/mol:	13.84
Dipole, Da:	7.25
IP(EA), eV:	-9.59(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3,4-diethoxy-5-nitrophenyl)methylideneamino]thiourea

Drug info:

PubChemData

Smile

CCCN1C(=O)C(=C(/C(=N/NC2=CN=CC=C2)/C1=O)C)C#N

DOS

IR

Vibrations