Geometry & MOs

Info

ID:	343297
PubChem CID:	127266470
Reduced:	N2O4H18C21 (1)
Stoich.:	A2B4C18D21 (1)
Weight, g/mol:	346.073576
ΔH_f, kcal/mol:	-43.2
Dipole, Da:	5.24
IP(EA), eV:	-8.37(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methoxyphenyl)-3-[[(Z)-(3-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]thiourea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC=C2OCC(=O)NN/C=C\3/C=CC=C(C3=O)O

DOS

IR

Vibrations