Geometry & MOs

Info

ID:	178859
PubChem CID:	76392104
Reduced:	ClN2O3C21H35 (1)
Stoich.:	AB2C3D21E35 (1)
Weight, g/mol:	385.18017
ΔH_f, kcal/mol:	-188.63
Dipole, Da:	6.74
IP(EA), eV:	-9.4(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-ethoxyphenyl)methyl]-1-[2-(3-fluorophenoxy)piperidin-4-ylidene]-1-nitrosomethanamine

Drug info:

PubChemData

Smile

CCCCCCCCCCOC(=O)C(CC1=CC=CC=C1)NC(=O)CN.Cl

DOS

IR

Vibrations