Geometry & MOs

Info

ID:	268394
PubChem CID:	103599238
Reduced:	FO2N7H16C21 (1)
Stoich.:	AB2C7D16E21 (1)
Weight, g/mol:	405.100794
ΔH_f, kcal/mol:	68.95
Dipole, Da:	3.61
IP(EA), eV:	-8.98(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoyl]-2H-triazole-4-carbohydrazide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C=CC(=O)NNC(=O)C4=NNN=C4

DOS

IR

Vibrations