Geometry & MOs

Info

ID:	142067
PubChem CID:	52975651
Reduced:	ClFO2N4C18H18 (1)
Stoich.:	ABC2D4E18F18 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	-77.57
Dipole, Da:	5.94
IP(EA), eV:	-8.75(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-morpholin-4-ylpyridin-3-yl)-5-phenylpyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)NC(=O)C2CNNC2C3=CC=C(C=C3)F)Cl

DOS

IR

Vibrations