Geometry & MOs

Info

ID:	38869
PubChem CID:	8138085
Reduced:	FO2N5H16C21 (1)
Stoich.:	AB2C5D16E21 (1)
Weight, g/mol:	328.078325
ΔH_f, kcal/mol:	14.28
Dipole, Da:	5.46
IP(EA), eV:	-9.15(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C(=O)NNC(=O)C4=CC=CN4

DOS

IR

Vibrations