Geometry & MOs

Info

ID:	21999
PubChem CID:	594706
Reduced:	NO2C7H7 (2)
Stoich.:	AB2C7D7 (2)
Weight, g/mol:	274.095357
ΔH_f, kcal/mol:	-51.58
Dipole, Da:	2.06
IP(EA), eV:	-8.98(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,3-benzodioxol-5-yl)-4,5-dihydro-3H-pyrazol-3-yl]-(2-methyloxiran-2-yl)methanone

Drug info:

PubChemData

Smile

CC1(CO1)C(=O)C2C(CN=N2)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations