Geometry & MOs

Info

ID:	342452
PubChem CID:	127265607
Reduced:	N2O3H18C20 (1)
Stoich.:	A2B3C18D20 (1)
Weight, g/mol:	331.128054
ΔH_f, kcal/mol:	-14.25
Dipole, Da:	4.22
IP(EA), eV:	-7.93(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-cyclopentyloxypyridin-3-yl)methyl]-4-nitro-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CN(C2=C1C=C(C=C2)NCC=CC3=CC=CO3)C(=O)C4=COC=C4

DOS

IR

Vibrations