Geometry & MOs

Info

ID:	248175
PubChem CID:	103079442
Reduced:	ON3C6H9 (2)
Stoich.:	AB3C6D9 (2)
Weight, g/mol:	237.086189
ΔH_f, kcal/mol:	60.75
Dipole, Da:	5.58
IP(EA), eV:	-8.95(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-methyl-4-nitropyrazol-3-yl)morpholine-2-carbonitrile

Drug info:

PubChemData

Smile

CCC(C#N)N1CCN(CC1)C2=NN(C=C2[N+](=O)[O-])C

DOS

IR

Vibrations