Geometry & MOs

Info

ID:	307194
PubChem CID:	125275703
Reduced:	OSN5C13H13 (1)
Stoich.:	ABC5D13E13 (1)
Weight, g/mol:	394.164105
ΔH_f, kcal/mol:	68.16
Dipole, Da:	2.94
IP(EA), eV:	-8.94(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,5-trimethoxy-N-[(Z)-[5-(4-methylphenyl)-3H-pyrazol-4-yl]methylideneamino]benzamide

Drug info:

PubChemData

Smile

C1C=CS[C@H]1CC(=O)NC2=CC=CC(=C2)C3=NNN=N3

DOS

IR

Vibrations