Geometry & MOs

Info

ID:	69292
PubChem CID:	46530596
Reduced:	N3O3C29H35 (1)
Stoich.:	A3B3C29D35 (1)
Weight, g/mol:	451.201968
ΔH_f, kcal/mol:	-109.36
Dipole, Da:	8.74
IP(EA), eV:	-9.47(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-3,5-dimethyl-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations