Geometry & MOs

Info

ID:	178061
PubChem CID:	76270859
Reduced:	ClN2O4C18H25 (1)
Stoich.:	AB2C4D18E25 (1)
Weight, g/mol:	411.134969
ΔH_f, kcal/mol:	-183.57
Dipole, Da:	4.96
IP(EA), eV:	-9.57(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]pyrazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)N(C(C)C)C(=O)COC(=O)C(C)NC(=O)C1=CC=CC=C1Cl

DOS

IR

Vibrations