Geometry & MOs

Info

ID:	343750
PubChem CID:	127266926
Reduced:	ClFON3C14H17 (1)
Stoich.:	ABCD3E14F17 (1)
Weight, g/mol:	333.160103
ΔH_f, kcal/mol:	-74.39
Dipole, Da:	1.57
IP(EA), eV:	-8.52(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-amino-2-fluorophenyl)-3-[3-(5-oxo-1,2-dihydropyrazol-3-yl)pyrrolidin-1-yl]propanamide

Drug info:

PubChemData

Smile

C1CN(CC(=C1)Cl)CCC(=O)NC2=C(C=CC(=C2)N)F

DOS

IR

Vibrations