Geometry & MOs

Info

ID:	248292
PubChem CID:	103080341
Reduced:	O2N5C9H15 (1)
Stoich.:	A2B5C9D15 (1)
Weight, g/mol:	227.138225
ΔH_f, kcal/mol:	33.31
Dipole, Da:	5.48
IP(EA), eV:	-8.68(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,2-dimethyl-N'-(1-methyl-4-nitropyrazol-3-yl)propane-1,3-diamine

Drug info:

PubChemData

Smile

CNC1CCN(C1)C2=NN(C=C2[N+](=O)[O-])C

DOS

IR

Vibrations