Geometry & MOs

Info

ID:	1840
PubChem CID:	5165
Reduced:	BrN3O4H10C13 (1)
Stoich.:	AB3C4D10E13 (1)
Weight, g/mol:	350.98547
ΔH_f, kcal/mol:	-22.22
Dipole, Da:	2.78
IP(EA), eV:	-9.28(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromophenyl)-3-[4-(dihydroxyamino)-6-oxocyclohexa-2,4-dien-1-ylidene]urea

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=O)N=C2C=CC(=CC2=O)N(O)O)Br

DOS

IR

Vibrations