Geometry & MOs

Info

ID:	325163
PubChem CID:	126681687
Reduced:	ON2C18H22 (1)
Stoich.:	AB2C18D22 (1)
Weight, g/mol:	504.172832
ΔH_f, kcal/mol:	13.84
Dipole, Da:	3.24
IP(EA), eV:	-8.7(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC1CCC(CO)(C2=CC(=CC=C2)N)C3=CN=CC=C3

DOS

IR

Vibrations