Geometry & MOs

Info

ID:	208758
PubChem CID:	80579500
Reduced:	NO2C5H5 (2)
Stoich.:	AB2C5D5 (2)
Weight, g/mol:	235.14331
ΔH_f, kcal/mol:	-108.2
Dipole, Da:	4.93
IP(EA), eV:	-8.99(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-aminopyrazol-1-yl)ethyl]-3-propan-2-ylimidazol-2-one

Drug info:

PubChemData

Smile

CN1C=CN(C1=O)CC2=CC=C(O2)C(=O)O

DOS

IR

Vibrations