Geometry & MOs

Info

ID:	182844
PubChem CID:	76944577
Reduced:	ClON3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	247.14331
ΔH_f, kcal/mol:	35.24
Dipole, Da:	2.11
IP(EA), eV:	-8.79(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-cyclopropylpyrazol-1-yl)piperidin-4-ylidene]-nitrosomethanamine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN(C)C2=C(C=C(C=C2)Cl)C(=NO)N

DOS

IR

Vibrations