Geometry & MOs

Info

ID:	248296
PubChem CID:	103080359
Reduced:	O2N5C10H17 (1)
Stoich.:	A2B5C10D17 (1)
Weight, g/mol:	239.138225
ΔH_f, kcal/mol:	31.06
Dipole, Da:	6.93
IP(EA), eV:	-8.86(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidin-3-yl]ethanamine

Drug info:

PubChemData

Smile

CC1CC(CN1C2=NN(C=C2[N+](=O)[O-])C)CN

DOS

IR

Vibrations