Geometry & MOs

Info

ID:	248310
PubChem CID:	103080479
Reduced:	O4N5H7C8 (1)
Stoich.:	A4B5C7D8 (1)
Weight, g/mol:	282.132805
ΔH_f, kcal/mol:	13.24
Dipole, Da:	11.49
IP(EA), eV:	-10.27(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[1-(1-methyl-4-nitropyrazol-3-yl)piperidin-2-yl]acetate

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)N2C=C(C=N2)C(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations