Geometry & MOs

Info

ID:	248297
PubChem CID:	103080361
Reduced:	O2N5C10H17 (1)
Stoich.:	A2B5C10D17 (1)
Weight, g/mol:	235.088081
ΔH_f, kcal/mol:	23.48
Dipole, Da:	6.72
IP(EA), eV:	-8.71(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1CCN(C1)C2=NN(C=C2[N+](=O)[O-])C)N

DOS

IR

Vibrations