Geometry & MOs

Info

ID:	248291
PubChem CID:	103080335
Reduced:	O2N5C13H15 (1)
Stoich.:	A2B5C13D15 (1)
Weight, g/mol:	225.122575
ΔH_f, kcal/mol:	59.51
Dipole, Da:	7.15
IP(EA), eV:	-8.64(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidin-3-amine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NC2=CC=CC3=C2CCNC3)[N+](=O)[O-]

DOS

IR

Vibrations