Geometry & MOs

Info

ID:	339480
PubChem CID:	127261413
Reduced:	ON3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	168.064726
ΔH_f, kcal/mol:	38.81
Dipole, Da:	4.94
IP(EA), eV:	-8.72(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4Z)-4-[(hydroxyamino)methylidene]-2-methylpyrazol-3-ylidene]formamide

Drug info:

PubChemData

Smile

C1C[C@H](N([C@@H]1C2=CC=CC=C2)/N=C/CNC=O)C3=CC=CC=C3

DOS

IR

Vibrations