Geometry & MOs

Info

ID:	248154
PubChem CID:	103079314
Reduced:	N4O4C11H16 (1)
Stoich.:	A4B4C11D16 (1)
Weight, g/mol:	282.132805
ΔH_f, kcal/mol:	-59.67
Dipole, Da:	8.09
IP(EA), eV:	-9.01(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-1-(1-methyl-4-nitropyrazol-3-yl)piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CCN(CC1)C2=NN(C=C2[N+](=O)[O-])C)C(=O)O

DOS

IR

Vibrations