Geometry & MOs

Info

ID:	216529
PubChem CID:	85086374
Reduced:	ClNO3H12C14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	278.062675
ΔH_f, kcal/mol:	-33.84
Dipole, Da:	2.26
IP(EA), eV:	-9.75(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-2-[[6-oxo-3-(trifluoromethoxy)cyclohexa-2,4-dien-1-ylidene]methylamino]guanidine

Drug info:

PubChemData

Smile

CCOC(=O)C=CC1=C(ON=C1C2=CC=CC=C2)Cl

DOS

IR

Vibrations