Geometry & MOs

Info

ID:	319261
PubChem CID:	126655456
Reduced:	FO3N7H28C29 (1)
Stoich.:	AB3C7D28E29 (1)
Weight, g/mol:	270.148061
ΔH_f, kcal/mol:	-30.34
Dipole, Da:	3.8
IP(EA), eV:	-8.75(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1-benzylpyrazol-3-yl)piperidin-4-ylidene]hydroxylamine

Drug info:

PubChemData

Smile

CC1(CCCN(C1)C2=NN(C=C2)C3=CC(=NC4=C3C(=O)N(C4)C(=O)OC(C)(C)C)C5=C(C=CC=C5F)C#N)C#N

DOS

IR

Vibrations