Geometry & MOs

Info

ID:	129040
PubChem CID:	51067859
Reduced:	O4N5C30H35 (1)
Stoich.:	A4B5C30D35 (1)
Weight, g/mol:	409.18017
ΔH_f, kcal/mol:	-47.16
Dipole, Da:	5.1
IP(EA), eV:	-8.24(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[5-(2-fluorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-methylcyclopropanecarboxamide

Drug info:

PubChemData

Smile

CN1C=CC=C1C2=NN(C(C2)C3=CC=CC=C3)C(=O)CN(CCN4CCOCC4)C(=O)C5=CC=C(C=C5)OC

DOS

IR

Vibrations