Geometry & MOs

Info

ID:	69356
PubChem CID:	46530814
Reduced:	F2N2O3H14C15 (1)
Stoich.:	A2B2C3D14E15 (1)
Weight, g/mol:	474.138945
ΔH_f, kcal/mol:	-164.61
Dipole, Da:	2.08
IP(EA), eV:	-9.85(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)F)F)NC(=O)CNC(=O)C2=CC=CO2

DOS

IR

Vibrations