Geometry & MOs

Info

ID:	171581
PubChem CID:	75398220
Reduced:	O2N5H17C19 (1)
Stoich.:	A2B5C17D19 (1)
Weight, g/mol:	418.155352
ΔH_f, kcal/mol:	25.38
Dipole, Da:	3.74
IP(EA), eV:	-9.12(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-5-N-pyridin-4-yl-5-N-(pyridin-2-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=CC(=C2)C(=O)NC3=NN=CN3C4=CC=CC=C4

DOS

IR

Vibrations