Geometry & MOs

Info

ID:	38868
PubChem CID:	8138084
Reduced:	ClO2N5H16C21 (1)
Stoich.:	AB2C5D16E21 (1)
Weight, g/mol:	389.128803
ΔH_f, kcal/mol:	52.42
Dipole, Da:	5.64
IP(EA), eV:	-9.1(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-1-phenyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations