Geometry & MOs

Info

ID:	191948
PubChem CID:	78207647
Reduced:	N4O4C15H16 (1)
Stoich.:	A4B4C15D16 (1)
Weight, g/mol:	285.062867
ΔH_f, kcal/mol:	-91.1
Dipole, Da:	3.95
IP(EA), eV:	-9.34(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-nitro-N-(pyridin-4-ylmethyl)pyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2C(C(=O)NC1=O)N3CC(OC3=N2)COC4=CC=CC=C4

DOS

IR

Vibrations