Geometry & MOs

Info

ID:	176627
PubChem CID:	76075544
Reduced:	FN3O4C21H22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	232.132411
ΔH_f, kcal/mol:	-160.26
Dipole, Da:	9.97
IP(EA), eV:	-9.6(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3,4-dimethylphenyl)imidazolidin-2-ylidene]-nitrosomethanamine

Drug info:

PubChemData

Smile

CC1CC(=O)N(C(=O)N1C)C2=C(C=C(C(=C2)C(=O)OCC3CCC=CC3)C#N)F

DOS

IR

Vibrations