Geometry & MOs

Info

ID:	183538
PubChem CID:	77035364
Reduced:	ON5C14H21 (1)
Stoich.:	AB5C14D21 (1)
Weight, g/mol:	302.09906
ΔH_f, kcal/mol:	85.14
Dipole, Da:	3.89
IP(EA), eV:	-8.65(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

nitroso-[5-[2-(trifluoromethyl)phenoxy]piperazin-2-ylidene]methanamine

Drug info:

PubChemData

Smile

CN(CC1CC2CCC1C2)C3C=NC(=C(N)N=O)C=N3

DOS

IR

Vibrations